1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid

C12H11N5O3 — CID 65452192

IUPAC1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H11N5O3/c18-10(14-12(5-6-12)11(19)20)8-1-3-9(4-2-8)17-7-13-15-16-17/h1-4,7H,5-6H2,(H,14,18)(H,19,20)
InChIKeyYLJNACUZDPXOTI-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.01
Rot. Bonds4

About 1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid

1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 65452192) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
PubChem CID65452192
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H11N5O3/c18-10(14-12(5-6-12)11(19)20)8-1-3-9(4-2-8)17-7-13-15-16-17/h1-4,7H,5-6H2,(H,14,18)(H,19,20)
InChIKeyYLJNACUZDPXOTI-UHFFFAOYSA-N
XLogP0.01
TPSA110.00 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 ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 91954353
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide
CID 1256899
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 66172388
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide
CID 580173
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
N-piperidin-4-yl-4-(tetrazol-1-yl)benzamide
CID 43603117

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid (CID 65452192) is 1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is YLJNACUZDPXOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c18-10(14-12(5-6-12)11(19)20)8-1-3-9(4-2-8)17-7-13-15-16-17/h1-4,7H,5-6H2,(H,14,18)(H,19,20).
What are the key properties of 1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid?
1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65452192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).