(2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid

C203H255Cl2N21O26 — CID 158805764

IUPAC(2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
SMILESCC(C)Oc1ccccc1[C@@H](C(=O)O)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1Cl)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/2C30H37N3O4.2C30H39N3O4.C29H39N3O4.2C27H32ClN3O3/c2*34-29(32-15-13-20(14-16-32)17-23-10-9-21-5-1-3-7-26(21)31-23)22-18-33(19-22)28(30(35)36)25-6-2-4-8-27(25)37-24-11-12-24;2*1-20(2)37-27-10-6-4-8-25(27)28(30(35)36)33-18-23(19-33)29(34)32-15-13-21(14-16-32)17-24-12-11-22-7-3-5-9-26(22)31-24;1-20(2)36-26-12-6-4-10-24(26)27(29(34)35)32-18-15-21(16-19-32)25(33)11-5-3-9-23-14-13-22-8-7-17-30-28(22)31-23;2*28-23-7-3-2-6-22(23)25(27(33)34)31-16-20(17-31)26(32)30-13-11-18(12-14-30)15-21-10-9-19-5-1-4-8-24(19)29-21/h2*2,4,6,8-10,20,22,24,28H,1,3,5,7,11-19H2,(H,35,36);2*4,6,8,10-12,20-21,23,28H,3,5,7,9,13-19H2,1-2H3,(H,35,36);4,6,10,12-14,20-21,27H,3,5,7-9,11,15-19H2,1-2H3,(H,30,31)(H,34,35);2*2-3,6-7,9-10,18,20,25H,1,4-5,8,11-17H2,(H,33,34)/t4*28-;27-;2*25-/m1010010/s1
InChIKeyIUBCNQFIJOEJDX-QEHONJJCSA-N
MW3476.30 g/mol
LogP30.01
Rot. Bonds55

About (2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid

(2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid (PubChem CID 158805764) has the molecular formula C203H255Cl2N21O26 and a molecular weight of 3476.30 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
PubChem CID158805764
Molecular FormulaC203H255Cl2N21O26
Molecular Weight3476.30 g/mol
Exact Mass3472.87
IUPAC Name(2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
SMILESCC(C)Oc1ccccc1[C@@H](C(=O)O)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1Cl)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/2C30H37N3O4.2C30H39N3O4.C29H39N3O4.2C27H32ClN3O3/c2*34-29(32-15-13-20(14-16-32)17-23-10-9-21-5-1-3-7-26(21)31-23)22-18-33(19-22)28(30(35)36)25-6-2-4-8-27(25)37-24-11-12-24;2*1-20(2)37-27-10-6-4-8-25(27)28(30(35)36)33-18-23(19-33)29(34)32-15-13-21(14-16-32)17-24-12-11-22-7-3-5-9-26(22)31-24;1-20(2)36-26-12-6-4-10-24(26)27(29(34)35)32-18-15-21(16-19-32)25(33)11-5-3-9-23-14-13-22-8-7-17-30-28(22)31-23;2*28-23-7-3-2-6-22(23)25(27(33)34)31-16-20(17-31)26(32)30-13-11-18(12-14-30)15-21-10-9-19-5-1-4-8-24(19)29-21/h2*2,4,6,8-10,20,22,24,28H,1,3,5,7,11-19H2,(H,35,36);2*4,6,8,10-12,20-21,23,28H,3,5,7,9,13-19H2,1-2H3,(H,35,36);4,6,10,12-14,20-21,27H,3,5,7-9,11,15-19H2,1-2H3,(H,30,31)(H,34,35);2*2-3,6-7,9-10,18,20,25H,1,4-5,8,11-17H2,(H,33,34)/t4*28-;27-;2*25-/m1010010/s1
InChIKeyIUBCNQFIJOEJDX-QEHONJJCSA-N
XLogP30.01
TPSA571.12 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds55
Heavy Atoms252
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003476.30
LogP ≤ 530.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
The IUPAC name of (2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid (CID 158805764) is (2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid is CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1Cl)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1OC1CC1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
The InChIKey is IUBCNQFIJOEJDX-QEHONJJCSA-N. The full InChI is InChI=1S/2C30H37N3O4.2C30H39N3O4.C29H39N3O4.2C27H32ClN3O3/c2*34-29(32-15-13-20(14-16-32)17-23-10-9-21-5-1-3-7-26(21)31-23)22-18-33(19-22)28(30(35)36)25-6-2-4-8-27(25)37-24-11-12-24;2*1-20(2)37-27-10-6-4-8-25(27)28(30(35)36)33-18-23(19-33)29(34)32-15-13-21(14-16-32)17-24-12-11-22-7-3-5-9-26(22)31-24;1-20(2)36-26-12-6-4-10-24(26)27(29(34)35)32-18-15-21(16-19-32)25(33)11-5-3-9-23-14-13-22-8-7-17-30-28(22)31-23;2*28-23-7-3-2-6-22(23)25(27(33)34)31-16-20(17-31)26(32)30-13-11-18(12-14-30)15-21-10-9-19-5-1-4-8-24(19)29-21/h2*2,4,6,8-10,20,22,24,28H,1,3,5,7,11-19H2,(H,35,36);2*4,6,8,10-12,20-21,23,28H,3,5,7,9,13-19H2,1-2H3,(H,35,36);4,6,10,12-14,20-21,27H,3,5,7-9,11,15-19H2,1-2H3,(H,30,31)(H,34,35);2*2-3,6-7,9-10,18,20,25H,1,4-5,8,11-17H2,(H,33,34)/t4*28-;27-;2*25-/m1010010/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
(2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid has a molecular weight of 3476.30 g/mol, XLogP of 30.01, 55 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid is sourced from PubChem (CID 158805764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).