(2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid

C164H211F2N17O18 — CID 159672990

IUPAC(2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)C(c1ccccc1C1CC1)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@@H](c1ccc(F)cc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccc(F)cc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1C1CC1)N1CC[C@H](OCCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C29H38N2O3.2C27H34FN3O3.3C27H35N3O3/c32-29(33)28(26-11-5-4-10-25(26)21-13-14-21)31-18-17-24(20-31)34-19-7-1-2-9-23-16-15-22-8-3-6-12-27(22)30-23;2*28-20-9-11-23(24(16-20)18-6-7-18)25(27(32)33)31-14-12-22(17-31)34-15-2-1-5-21-10-8-19-4-3-13-29-26(19)30-21;3*31-27(32)25(24-9-2-1-8-23(24)19-10-11-19)30-16-14-22(18-30)33-17-4-3-7-21-13-12-20-6-5-15-28-26(20)29-21/h4-5,10-11,15-16,21,24,28H,1-3,6-9,12-14,17-20H2,(H,32,33);2*8-11,16,18,22,25H,1-7,12-15,17H2,(H,29,30)(H,32,33);3*1-2,8-9,12-13,19,22,25H,3-7,10-11,14-18H2,(H,28,29)(H,31,32)/t24-,28?;22-,25+;22-,25-;22-,25+;2*22-,25-/m111110/s1
InChIKeyMUFSBDPDVMYCSQ-GPLHYLLRSA-N
MW2746.59 g/mol
LogP28.53
Rot. Bonds61

About (2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid

(2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid (PubChem CID 159672990) has the molecular formula C164H211F2N17O18 and a molecular weight of 2746.59 g/mol. Its IUPAC name is (2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid
PubChem CID159672990
Molecular FormulaC164H211F2N17O18
Molecular Weight2746.59 g/mol
Exact Mass2744.61
IUPAC Name(2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)C(c1ccccc1C1CC1)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@@H](c1ccc(F)cc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccc(F)cc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1C1CC1)N1CC[C@H](OCCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C29H38N2O3.2C27H34FN3O3.3C27H35N3O3/c32-29(33)28(26-11-5-4-10-25(26)21-13-14-21)31-18-17-24(20-31)34-19-7-1-2-9-23-16-15-22-8-3-6-12-27(22)30-23;2*28-20-9-11-23(24(16-20)18-6-7-18)25(27(32)33)31-14-12-22(17-31)34-15-2-1-5-21-10-8-19-4-3-13-29-26(19)30-21;3*31-27(32)25(24-9-2-1-8-23(24)19-10-11-19)30-16-14-22(18-30)33-17-4-3-7-21-13-12-20-6-5-15-28-26(20)29-21/h4-5,10-11,15-16,21,24,28H,1-3,6-9,12-14,17-20H2,(H,32,33);2*8-11,16,18,22,25H,1-7,12-15,17H2,(H,29,30)(H,32,33);3*1-2,8-9,12-13,19,22,25H,3-7,10-11,14-18H2,(H,28,29)(H,31,32)/t24-,28?;22-,25+;22-,25-;22-,25+;2*22-,25-/m111110/s1
InChIKeyMUFSBDPDVMYCSQ-GPLHYLLRSA-N
XLogP28.53
TPSA436.11 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds61
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002746.59
LogP ≤ 528.53
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze (2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid?
The IUPAC name of (2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid (CID 159672990) is (2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid is O=C(O)C(c1ccccc1C1CC1)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@@H](c1ccc(F)cc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccc(F)cc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1C1CC1)N1CC[C@H](OCCCCc2ccc3c(n2)NCCC3)C1.
What is the InChIKey of (2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid?
The InChIKey is MUFSBDPDVMYCSQ-GPLHYLLRSA-N. The full InChI is InChI=1S/C29H38N2O3.2C27H34FN3O3.3C27H35N3O3/c32-29(33)28(26-11-5-4-10-25(26)21-13-14-21)31-18-17-24(20-31)34-19-7-1-2-9-23-16-15-22-8-3-6-12-27(22)30-23;2*28-20-9-11-23(24(16-20)18-6-7-18)25(27(32)33)31-14-12-22(17-31)34-15-2-1-5-21-10-8-19-4-3-13-29-26(19)30-21;3*31-27(32)25(24-9-2-1-8-23(24)19-10-11-19)30-16-14-22(18-30)33-17-4-3-7-21-13-12-20-6-5-15-28-26(20)29-21/h4-5,10-11,15-16,21,24,28H,1-3,6-9,12-14,17-20H2,(H,32,33);2*8-11,16,18,22,25H,1-7,12-15,17H2,(H,29,30)(H,32,33);3*1-2,8-9,12-13,19,22,25H,3-7,10-11,14-18H2,(H,28,29)(H,31,32)/t24-,28?;22-,25+;22-,25-;22-,25+;2*22-,25-/m111110/s1.
What are the key properties of (2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid?
(2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid has a molecular weight of 2746.59 g/mol, XLogP of 28.53, 61 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 159672990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).