3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid

C11H11N5O3 — CID 166178543

IUPAC3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)NCCc2nn[nH]n2)c1
InChIInChI=1S/C11H11N5O3/c17-10(12-5-4-9-13-15-16-14-9)7-2-1-3-8(6-7)11(18)19/h1-3,6H,4-5H2,(H,12,17)(H,18,19)(H,13,14,15,16)
InChIKeyJVNFLVMYQXSYSY-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.13
Rot. Bonds5

About 3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid

3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid (PubChem CID 166178543) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid
PubChem CID166178543
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)NCCc2nn[nH]n2)c1
InChIInChI=1S/C11H11N5O3/c17-10(12-5-4-9-13-15-16-14-9)7-2-1-3-8(6-7)11(18)19/h1-3,6H,4-5H2,(H,12,17)(H,18,19)(H,13,14,15,16)
InChIKeyJVNFLVMYQXSYSY-UHFFFAOYSA-N
XLogP-0.13
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720006
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720007
3-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 76927218
3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
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3-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115246
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
CID 156641933
CID 156641933
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
4-[2-[(3-iodobenzoyl)amino]ethyl]benzoic acid
CID 43233757
3-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]benzoic acid
CID 115596261

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid?
The IUPAC name of 3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid (CID 166178543) is 3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid.
What is the SMILES notation for 3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid?
The canonical SMILES for 3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid is O=C(O)c1cccc(C(=O)NCCc2nn[nH]n2)c1.
What is the InChIKey of 3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid?
The InChIKey is JVNFLVMYQXSYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c17-10(12-5-4-9-13-15-16-14-9)7-2-1-3-8(6-7)11(18)19/h1-3,6H,4-5H2,(H,12,17)(H,18,19)(H,13,14,15,16).
What are the key properties of 3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid?
3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid has a molecular weight of 261.24 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid is sourced from PubChem (CID 166178543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).