2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid

C12H13N5O3 — CID 61261161

IUPAC2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
SMILESCC(C)(NC(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)O
InChIInChI=1S/C12H13N5O3/c1-12(2,11(19)20)13-10(18)8-5-3-7(4-6-8)9-14-16-17-15-9/h3-6H,1-2H3,(H,13,18)(H,19,20)(H,14,15,16,17)
InChIKeyBCJXWKQNYMVXND-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.46
Rot. Bonds4

About 2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid

2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid (PubChem CID 61261161) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
PubChem CID61261161
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
SMILESCC(C)(NC(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)O
InChIInChI=1S/C12H13N5O3/c1-12(2,11(19)20)13-10(18)8-5-3-7(4-6-8)9-14-16-17-15-9/h3-6H,1-2H3,(H,13,18)(H,19,20)(H,14,15,16,17)
InChIKeyBCJXWKQNYMVXND-UHFFFAOYSA-N
XLogP0.46
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
CID 103933543
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
N-ethoxy-4-(2H-tetrazol-5-yl)benzamide
CID 60717193
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060
N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide
CID 115878235
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 79384598
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720243
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
N-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541019
N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid (CID 61261161) is 2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid is CC(C)(NC(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
The InChIKey is BCJXWKQNYMVXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-12(2,11(19)20)13-10(18)8-5-3-7(4-6-8)9-14-16-17-15-9/h3-6H,1-2H3,(H,13,18)(H,19,20)(H,14,15,16,17).
What are the key properties of 2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid has a molecular weight of 275.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 61261161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).