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

C12H13N5O3 — CID 61021113

IUPAC2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H13N5O3/c1-2-17(7-10(18)19)12(20)9-5-3-4-8(6-9)11-13-15-16-14-11/h3-6H,2,7H2,1H3,(H,18,19)(H,13,14,15,16)
InChIKeyJZQPIBOHXLDJTF-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.41
Rot. Bonds5

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

2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid (PubChem CID 61021113) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
PubChem CID61021113
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H13N5O3/c1-2-17(7-10(18)19)12(20)9-5-3-4-8(6-9)11-13-15-16-14-11/h3-6H,2,7H2,1H3,(H,18,19)(H,13,14,15,16)
InChIKeyJZQPIBOHXLDJTF-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

3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 60989086
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
CID 43576735
N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide
CID 166311857
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
2-[ethyl-[3-(methylsulfanylmethyl)benzoyl]amino]acetic acid
CID 54901480
2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 54901381
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide
CID 157018493
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid (CID 61021113) is 2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
The InChIKey is JZQPIBOHXLDJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-2-17(7-10(18)19)12(20)9-5-3-4-8(6-9)11-13-15-16-14-11/h3-6H,2,7H2,1H3,(H,18,19)(H,13,14,15,16).
What are the key properties of 2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic 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 2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 61021113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).