(2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid

C198H250F2N28O18 — CID 162056394

IUPAC(2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)[C@@H](c1ccccc1)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](n2cc(CCc3ccc4c(n3)NCCC4)cn2)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@](F)(CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@](F)(CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](n2cc(CCc3ccc4c(n3)NCCC4)cn2)C1
InChIInChI=1S/2C25H32FN3O2.2C25H29N5O2.2C25H33N3O2.2C24H31N3O3/c2*26-25(15-17-29(18-25)22(24(30)31)19-8-3-1-4-9-19)14-6-2-5-11-21-13-12-20-10-7-16-27-23(20)28-21;2*31-25(32)23(19-5-2-1-3-6-19)29-14-12-22(17-29)30-16-18(15-27-30)8-10-21-11-9-20-7-4-13-26-24(20)28-21;2*29-25(30)23(20-9-4-2-5-10-20)28-17-15-19(18-28)8-3-1-6-12-22-14-13-21-11-7-16-26-24(21)27-22;2*28-24(29)22(18-7-2-1-3-8-18)27-15-13-21(17-27)30-16-5-4-10-20-12-11-19-9-6-14-25-23(19)26-20/h2*1,3-4,8-9,12-13,22H,2,5-7,10-11,14-18H2,(H,27,28)(H,30,31);2*1-3,5-6,9,11,15-16,22-23H,4,7-8,10,12-14,17H2,(H,26,28)(H,31,32);2*2,4-5,9-10,13-14,19,23H,1,3,6-8,11-12,15-18H2,(H,26,27)(H,29,30);2*1-3,7-8,11-12,21-22H,4-6,9-10,13-17H2,(H,25,26)(H,28,29)/t22-,25+;22-,25-;22-,23+;22-,23-;19-,23+;19-,23-;21-,22+;21-,22-/m11111111/s1
InChIKeyYZFYOBKFVBVBGX-QTYJUBJGSA-N
MW3348.35 g/mol
LogP33.29
Rot. Bonds68

About (2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid

(2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid (PubChem CID 162056394) has the molecular formula C198H250F2N28O18 and a molecular weight of 3348.35 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid
PubChem CID162056394
Molecular FormulaC198H250F2N28O18
Molecular Weight3348.35 g/mol
Exact Mass3345.95
IUPAC Name(2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)[C@@H](c1ccccc1)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](n2cc(CCc3ccc4c(n3)NCCC4)cn2)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@](F)(CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@](F)(CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](n2cc(CCc3ccc4c(n3)NCCC4)cn2)C1
InChIInChI=1S/2C25H32FN3O2.2C25H29N5O2.2C25H33N3O2.2C24H31N3O3/c2*26-25(15-17-29(18-25)22(24(30)31)19-8-3-1-4-9-19)14-6-2-5-11-21-13-12-20-10-7-16-27-23(20)28-21;2*31-25(32)23(19-5-2-1-3-6-19)29-14-12-22(17-29)30-16-18(15-27-30)8-10-21-11-9-20-7-4-13-26-24(20)28-21;2*29-25(30)23(20-9-4-2-5-10-20)28-17-15-19(18-28)8-3-1-6-12-22-14-13-21-11-7-16-26-24(21)27-22;2*28-24(29)22(18-7-2-1-3-8-18)27-15-13-21(17-27)30-16-5-4-10-20-12-11-19-9-6-14-25-23(19)26-20/h2*1,3-4,8-9,12-13,22H,2,5-7,10-11,14-18H2,(H,27,28)(H,30,31);2*1-3,5-6,9,11,15-16,22-23H,4,7-8,10,12-14,17H2,(H,26,28)(H,31,32);2*2,4-5,9-10,13-14,19,23H,1,3,6-8,11-12,15-18H2,(H,26,27)(H,29,30);2*1-3,7-8,11-12,21-22H,4-6,9-10,13-17H2,(H,25,26)(H,28,29)/t22-,25+;22-,25-;22-,23+;22-,23-;19-,23+;19-,23-;21-,22+;21-,22-/m11111111/s1
InChIKeyYZFYOBKFVBVBGX-QTYJUBJGSA-N
XLogP33.29
TPSA577.78 Ų
H-Bond Donors16
H-Bond Acceptors38
Rotatable Bonds68
Heavy Atoms246
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003348.35
LogP ≤ 533.29
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of (2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid (CID 162056394) is (2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid is O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](n2cc(CCc3ccc4c(n3)NCCC4)cn2)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@](F)(CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@](F)(CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](n2cc(CCc3ccc4c(n3)NCCC4)cn2)C1.
What is the InChIKey of (2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is YZFYOBKFVBVBGX-QTYJUBJGSA-N. The full InChI is InChI=1S/2C25H32FN3O2.2C25H29N5O2.2C25H33N3O2.2C24H31N3O3/c2*26-25(15-17-29(18-25)22(24(30)31)19-8-3-1-4-9-19)14-6-2-5-11-21-13-12-20-10-7-16-27-23(20)28-21;2*31-25(32)23(19-5-2-1-3-6-19)29-14-12-22(17-29)30-16-18(15-27-30)8-10-21-11-9-20-7-4-13-26-24(20)28-21;2*29-25(30)23(20-9-4-2-5-10-20)28-17-15-19(18-28)8-3-1-6-12-22-14-13-21-11-7-16-26-24(21)27-22;2*28-24(29)22(18-7-2-1-3-8-18)27-15-13-21(17-27)30-16-5-4-10-20-12-11-19-9-6-14-25-23(19)26-20/h2*1,3-4,8-9,12-13,22H,2,5-7,10-11,14-18H2,(H,27,28)(H,30,31);2*1-3,5-6,9,11,15-16,22-23H,4,7-8,10,12-14,17H2,(H,26,28)(H,31,32);2*2,4-5,9-10,13-14,19,23H,1,3,6-8,11-12,15-18H2,(H,26,27)(H,29,30);2*1-3,7-8,11-12,21-22H,4-6,9-10,13-17H2,(H,25,26)(H,28,29)/t22-,25+;22-,25-;22-,23+;22-,23-;19-,23+;19-,23-;21-,22+;21-,22-/m11111111/s1.
What are the key properties of (2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid?
(2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 3348.35 g/mol, XLogP of 33.29, 68 rotatable bonds, 16 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 162056394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).