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

C12H13N5O3 — CID 60989086

IUPAC3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H13N5O3/c1-17(6-5-10(18)19)12(20)9-4-2-3-8(7-9)11-13-15-16-14-11/h2-4,7H,5-6H2,1H3,(H,18,19)(H,13,14,15,16)
InChIKeyMVGHVPJPYVEVIF-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.41
Rot. Bonds5

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

3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid (PubChem CID 60989086) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
PubChem CID60989086
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H13N5O3/c1-17(6-5-10(18)19)12(20)9-4-2-3-8(7-9)11-13-15-16-14-11/h2-4,7H,5-6H2,1H3,(H,18,19)(H,13,14,15,16)
InChIKeyMVGHVPJPYVEVIF-UHFFFAOYSA-N
XLogP0.41
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 61021113
3-[(3-bromobenzoyl)-methylamino]propanoic acid
CID 60989178
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
CID 43576735
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
3-[[3-(2-amino-2-sulfanylideneethyl)benzoyl]-methylamino]propanoic acid
CID 82178968
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
CID 106166243
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 79252952
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 43546652
3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
CID 53427079
3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid
CID 60989436
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid (CID 60989086) is 3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
The InChIKey is MVGHVPJPYVEVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-17(6-5-10(18)19)12(20)9-4-2-3-8(7-9)11-13-15-16-14-11/h2-4,7H,5-6H2,1H3,(H,18,19)(H,13,14,15,16).
What are the key properties of 3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid?
3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid has a molecular weight of 275.27 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 60989086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).