(2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

C118H145N27O12 — CID 158981234

IUPAC(2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2ccc(N3CCOCC3)nc2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2cccc(C3CCCCC3)c2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2cccc(OC3CCNCC3)n2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2ccnc(C)c2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2cncc(CN3CCCCC3)c2)c1)c1nn[nH]n1
InChIInChI=1S/C26H32N4O2.C25H32N6O2.C24H30N6O3.C23H28N6O3.C20H23N5O2/c1-2-8-23(26(31)32)24(25-27-29-30-28-25)16-18-9-6-12-20(15-18)22-14-7-13-21(17-22)19-10-4-3-5-11-19;1-2-7-22(25(32)33)23(24-27-29-30-28-24)14-18-8-6-9-20(12-18)21-13-19(15-26-16-21)17-31-10-4-3-5-11-31;1-2-5-19(24(31)32)20(23-27-29-30-28-23)15-16-6-3-7-17(14-16)21-8-4-9-22(26-21)33-18-10-12-25-13-11-18;1-2-4-19(23(30)31)20(22-25-27-28-26-22)14-16-5-3-6-17(13-16)18-7-8-21(24-15-18)29-9-11-32-12-10-29;1-3-5-17(20(26)27)18(19-22-24-25-23-19)12-14-6-4-7-15(11-14)16-8-9-21-13(2)10-16/h6-7,9,12-15,17,19,23-24H,2-5,8,10-11,16H2,1H3,(H,31,32)(H,27,28,29,30);6,8-9,12-13,15-16,22-23H,2-5,7,10-11,14,17H2,1H3,(H,32,33)(H,27,28,29,30);3-4,6-9,14,18-20,25H,2,5,10-13,15H2,1H3,(H,31,32)(H,27,28,29,30);3,5-8,13,15,19-20H,2,4,9-12,14H2,1H3,(H,30,31)(H,25,26,27,28);4,6-11,17-18H,3,5,12H2,1-2H3,(H,26,27)(H,22,23,24,25)/t23-,24-;22-,23-;2*19-,20-;17-,18-/m00000/s1
InChIKeyJPAKMBRYMAQHEA-AXHHQVLFSA-N
MW2133.63 g/mol
LogP19.36
Rot. Bonds46

About (2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

(2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (PubChem CID 158981234) has the molecular formula C118H145N27O12 and a molecular weight of 2133.63 g/mol. Its IUPAC name is (2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
PubChem CID158981234
Molecular FormulaC118H145N27O12
Molecular Weight2133.63 g/mol
Exact Mass2132.16
IUPAC Name(2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2ccc(N3CCOCC3)nc2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2cccc(C3CCCCC3)c2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2cccc(OC3CCNCC3)n2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2ccnc(C)c2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2cncc(CN3CCCCC3)c2)c1)c1nn[nH]n1
InChIInChI=1S/C26H32N4O2.C25H32N6O2.C24H30N6O3.C23H28N6O3.C20H23N5O2/c1-2-8-23(26(31)32)24(25-27-29-30-28-25)16-18-9-6-12-20(15-18)22-14-7-13-21(17-22)19-10-4-3-5-11-19;1-2-7-22(25(32)33)23(24-27-29-30-28-24)14-18-8-6-9-20(12-18)21-13-19(15-26-16-21)17-31-10-4-3-5-11-31;1-2-5-19(24(31)32)20(23-27-29-30-28-23)15-16-6-3-7-17(14-16)21-8-4-9-22(26-21)33-18-10-12-25-13-11-18;1-2-4-19(23(30)31)20(22-25-27-28-26-22)14-16-5-3-6-17(13-16)18-7-8-21(24-15-18)29-9-11-32-12-10-29;1-3-5-17(20(26)27)18(19-22-24-25-23-19)12-14-6-4-7-15(11-14)16-8-9-21-13(2)10-16/h6-7,9,12-15,17,19,23-24H,2-5,8,10-11,16H2,1H3,(H,31,32)(H,27,28,29,30);6,8-9,12-13,15-16,22-23H,2-5,7,10-11,14,17H2,1H3,(H,32,33)(H,27,28,29,30);3-4,6-9,14,18-20,25H,2,5,10-13,15H2,1H3,(H,31,32)(H,27,28,29,30);3,5-8,13,15,19-20H,2,4,9-12,14H2,1H3,(H,30,31)(H,25,26,27,28);4,6-11,17-18H,3,5,12H2,1-2H3,(H,26,27)(H,22,23,24,25)/t23-,24-;22-,23-;2*19-,20-;17-,18-/m00000/s1
InChIKeyJPAKMBRYMAQHEA-AXHHQVLFSA-N
XLogP19.36
TPSA547.33 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds46
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002133.63
LogP ≤ 519.36
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze (2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The IUPAC name of (2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (CID 158981234) is (2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.
What is the SMILES notation for (2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The canonical SMILES for (2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2ccc(N3CCOCC3)nc2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2cccc(C3CCCCC3)c2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2cccc(OC3CCNCC3)n2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2ccnc(C)c2)c1)c1nn[nH]n1.CCC[C@H](C(=O)O)[C@H](Cc1cccc(-c2cncc(CN3CCCCC3)c2)c1)c1nn[nH]n1.
What is the InChIKey of (2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The InChIKey is JPAKMBRYMAQHEA-AXHHQVLFSA-N. The full InChI is InChI=1S/C26H32N4O2.C25H32N6O2.C24H30N6O3.C23H28N6O3.C20H23N5O2/c1-2-8-23(26(31)32)24(25-27-29-30-28-25)16-18-9-6-12-20(15-18)22-14-7-13-21(17-22)19-10-4-3-5-11-19;1-2-7-22(25(32)33)23(24-27-29-30-28-24)14-18-8-6-9-20(12-18)21-13-19(15-26-16-21)17-31-10-4-3-5-11-31;1-2-5-19(24(31)32)20(23-27-29-30-28-23)15-16-6-3-7-17(14-16)21-8-4-9-22(26-21)33-18-10-12-25-13-11-18;1-2-4-19(23(30)31)20(22-25-27-28-26-22)14-16-5-3-6-17(13-16)18-7-8-21(24-15-18)29-9-11-32-12-10-29;1-3-5-17(20(26)27)18(19-22-24-25-23-19)12-14-6-4-7-15(11-14)16-8-9-21-13(2)10-16/h6-7,9,12-15,17,19,23-24H,2-5,8,10-11,16H2,1H3,(H,31,32)(H,27,28,29,30);6,8-9,12-13,15-16,22-23H,2-5,7,10-11,14,17H2,1H3,(H,32,33)(H,27,28,29,30);3-4,6-9,14,18-20,25H,2,5,10-13,15H2,1H3,(H,31,32)(H,27,28,29,30);3,5-8,13,15,19-20H,2,4,9-12,14H2,1H3,(H,30,31)(H,25,26,27,28);4,6-11,17-18H,3,5,12H2,1-2H3,(H,26,27)(H,22,23,24,25)/t23-,24-;22-,23-;2*19-,20-;17-,18-/m00000/s1.
What are the key properties of (2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
(2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid has a molecular weight of 2133.63 g/mol, XLogP of 19.36, 46 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-2-[3-(3-cyclohexylphenyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(2-methyl-4-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid;(2S)-2-[(1S)-2-[3-(6-piperidin-4-yloxy-2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is sourced from PubChem (CID 158981234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).