2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

C15H19N5O3 — CID 129240231

IUPAC2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCC(C(=O)O)[C@H](Cc1ccc(C(N)=O)cc1)c1nn[nH]n1
InChIInChI=1S/C15H19N5O3/c1-2-3-11(15(22)23)12(14-17-19-20-18-14)8-9-4-6-10(7-5-9)13(16)21/h4-7,11-12H,2-3,8H2,1H3,(H2,16,21)(H,22,23)(H,17,18,19,20)/t11?,12-/m0/s1
InChIKeyLKZPSVGSHTWZTG-KIYNQFGBSA-N
MW317.35 g/mol
LogP1.13
Rot. Bonds8

About 2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (PubChem CID 129240231) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
PubChem CID129240231
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCC(C(=O)O)[C@H](Cc1ccc(C(N)=O)cc1)c1nn[nH]n1
InChIInChI=1S/C15H19N5O3/c1-2-3-11(15(22)23)12(14-17-19-20-18-14)8-9-4-6-10(7-5-9)13(16)21/h4-7,11-12H,2-3,8H2,1H3,(H2,16,21)(H,22,23)(H,17,18,19,20)/t11?,12-/m0/s1
InChIKeyLKZPSVGSHTWZTG-KIYNQFGBSA-N
XLogP1.13
TPSA134.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The IUPAC name of 2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (CID 129240231) is 2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.
What is the SMILES notation for 2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The canonical SMILES for 2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is CCCC(C(=O)O)[C@H](Cc1ccc(C(N)=O)cc1)c1nn[nH]n1.
What is the InChIKey of 2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The InChIKey is LKZPSVGSHTWZTG-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-2-3-11(15(22)23)12(14-17-19-20-18-14)8-9-4-6-10(7-5-9)13(16)21/h4-7,11-12H,2-3,8H2,1H3,(H2,16,21)(H,22,23)(H,17,18,19,20)/t11?,12-/m0/s1.
What are the key properties of 2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is sourced from PubChem (CID 129240231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).