2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid

C17H14N6O4 — CID 5151774

IUPAC2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid
SMILESNC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccccc2C(=O)O)n1
InChIInChI=1S/C17H14N6O4/c18-14(24)9-23-21-15(20-22-23)12-7-3-4-8-13(12)19-16(25)10-5-1-2-6-11(10)17(26)27/h1-8H,9H2,(H2,18,24)(H,19,25)(H,26,27)
InChIKeyXLHKWVGFIVFFDB-UHFFFAOYSA-N
MW366.34 g/mol
LogP0.78
Rot. Bonds6

About 2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid

2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid (PubChem CID 5151774) has the molecular formula C17H14N6O4 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid
PubChem CID5151774
Molecular FormulaC17H14N6O4
Molecular Weight366.34 g/mol
Exact Mass366.11
IUPAC Name2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid
SMILESNC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccccc2C(=O)O)n1
InChIInChI=1S/C17H14N6O4/c18-14(24)9-23-21-15(20-22-23)12-7-3-4-8-13(12)19-16(25)10-5-1-2-6-11(10)17(26)27/h1-8H,9H2,(H2,18,24)(H,19,25)(H,26,27)
InChIKeyXLHKWVGFIVFFDB-UHFFFAOYSA-N
XLogP0.78
TPSA153.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 858288
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide
CID 1452611
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 648033
N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 3738322
4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463770
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 1463792
N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 1463772
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463796
4-tert-butyl-N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3192792
4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3229782

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid (CID 5151774) is 2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid is NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid?
The InChIKey is XLHKWVGFIVFFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O4/c18-14(24)9-23-21-15(20-22-23)12-7-3-4-8-13(12)19-16(25)10-5-1-2-6-11(10)17(26)27/h1-8H,9H2,(H2,18,24)(H,19,25)(H,26,27).
What are the key properties of 2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid?
2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid has a molecular weight of 366.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 5151774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).