2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid

C11H11N5O3 — CID 43355204

IUPAC2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)O
InChIInChI=1S/C11H11N5O3/c1-6(11(18)19)12-10(17)8-4-2-3-7(5-8)9-13-15-16-14-9/h2-6H,1H3,(H,12,17)(H,18,19)(H,13,14,15,16)
InChIKeyFNKUAJRZUSIUHL-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.07
Rot. Bonds4

About 2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid

2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid (PubChem CID 43355204) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
PubChem CID43355204
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)O
InChIInChI=1S/C11H11N5O3/c1-6(11(18)19)12-10(17)8-4-2-3-7(5-8)9-13-15-16-14-9/h2-6H,1H3,(H,12,17)(H,18,19)(H,13,14,15,16)
InChIKeyFNKUAJRZUSIUHL-UHFFFAOYSA-N
XLogP0.07
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 79252952
2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 62695358
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
CID 106166243
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 43546652
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 60989086
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide
CID 114469543
2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 61021113

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid (CID 43355204) is 2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid is CC(NC(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)O.
What is the InChIKey of 2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
The InChIKey is FNKUAJRZUSIUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-6(11(18)19)12-10(17)8-4-2-3-7(5-8)9-13-15-16-14-9/h2-6H,1H3,(H,12,17)(H,18,19)(H,13,14,15,16).
What are the key properties of 2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid has a molecular weight of 261.24 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 43355204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).