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

C13H13N5O3 — CID 62695358

IUPAC2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H13N5O3/c19-12(14-10(13(20)21)7-4-5-7)9-3-1-2-8(6-9)11-15-17-18-16-11/h1-3,6-7,10H,4-5H2,(H,14,19)(H,20,21)(H,15,16,17,18)
InChIKeyYNUZPFINOBNRPO-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.46
Rot. Bonds5

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

2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid (PubChem CID 62695358) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
PubChem CID62695358
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H13N5O3/c19-12(14-10(13(20)21)7-4-5-7)9-3-1-2-8(6-9)11-15-17-18-16-11/h1-3,6-7,10H,4-5H2,(H,14,19)(H,20,21)(H,15,16,17,18)
InChIKeyYNUZPFINOBNRPO-UHFFFAOYSA-N
XLogP0.46
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 79252952
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide
CID 102739177
2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid
CID 62697230
2-[(3-acetamidobenzoyl)amino]-2-cyclopropylacetic acid
CID 62696710
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
CID 106166243
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid (CID 62695358) is 2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
The InChIKey is YNUZPFINOBNRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c19-12(14-10(13(20)21)7-4-5-7)9-3-1-2-8(6-9)11-15-17-18-16-11/h1-3,6-7,10H,4-5H2,(H,14,19)(H,20,21)(H,15,16,17,18).
What are the key properties of 2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 62695358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).