2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

C12H11N5O3 — CID 82366576

IUPAC2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESNC(=O)c1ccc(-n2nnnc2C2CC2C(=O)O)cc1
InChIInChI=1S/C12H11N5O3/c13-10(18)6-1-3-7(4-2-6)17-11(14-15-16-17)8-5-9(8)12(19)20/h1-4,8-9H,5H2,(H2,13,18)(H,19,20)
InChIKeyYMZYSRQNQZLOFO-UHFFFAOYSA-N
MW273.25 g/mol
LogP-0.05
Rot. Bonds4

About 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 82366576) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID82366576
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESNC(=O)c1ccc(-n2nnnc2C2CC2C(=O)O)cc1
InChIInChI=1S/C12H11N5O3/c13-10(18)6-1-3-7(4-2-6)17-11(14-15-16-17)8-5-9(8)12(19)20/h1-4,8-9H,5H2,(H2,13,18)(H,19,20)
InChIKeyYMZYSRQNQZLOFO-UHFFFAOYSA-N
XLogP-0.05
TPSA123.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)benzoic acid
CID 3155249
methyl (1-{[4-(5-methyl-1H-tetrazol-1-yl)phenyl]carbonyl}piperidin-4-yl)acetate
CID 56763041
4-(5-Cyclopropyltetrazol-1-yl)-3-fluorobenzoic acid
CID 55158107
5-(5-Cyclopropyltetrazol-1-yl)-2-fluorobenzoic acid
CID 62076338
3-(5-Cyclopropyltetrazol-1-yl)-4-fluorobenzoic acid
CID 62076339
4-(5-Ethyltetrazol-1-yl)-3-fluorobenzoic acid
CID 63189789
4-(5-Cyclopentyltetrazol-1-yl)-3-fluorobenzoic acid
CID 63189835
4-(5-Cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid
CID 63189836
3-Fluoro-4-(5-propyltetrazol-1-yl)benzoic acid
CID 63189878
4-(5-Tert-butyltetrazol-1-yl)-3-fluorobenzoic acid
CID 63189880
3-Fluoro-4-(5-propan-2-yltetrazol-1-yl)benzoic acid
CID 63189921
2-[1-(2-Fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366592

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (CID 82366576) is 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is NC(=O)c1ccc(-n2nnnc2C2CC2C(=O)O)cc1.
What is the InChIKey of 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is YMZYSRQNQZLOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c13-10(18)6-1-3-7(4-2-6)17-11(14-15-16-17)8-5-9(8)12(19)20/h1-4,8-9H,5H2,(H2,13,18)(H,19,20).
What are the key properties of 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82366576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).