2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C13H13N5O3 — CID 60940554

IUPAC2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C13H13N5O3/c1-7-2-3-8(18-6-14-16-17-18)4-11(7)15-12(19)9-5-10(9)13(20)21/h2-4,6,9-10H,5H2,1H3,(H,15,19)(H,20,21)
InChIKeyHZDMBCBUEYWPJJ-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.63
Rot. Bonds4

About 2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60940554) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60940554
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C13H13N5O3/c1-7-2-3-8(18-6-14-16-17-18)4-11(7)15-12(19)9-5-10(9)13(20)21/h2-4,6,9-10H,5H2,1H3,(H,15,19)(H,20,21)
InChIKeyHZDMBCBUEYWPJJ-UHFFFAOYSA-N
XLogP0.63
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934319
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 94001278
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline
CID 64732994
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 133129447
4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 47047464
4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 47039545

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60940554) is 2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1ccc(-n2cnnn2)cc1NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is HZDMBCBUEYWPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-7-2-3-8(18-6-14-16-17-18)4-11(7)15-12(19)9-5-10(9)13(20)21/h2-4,6,9-10H,5H2,1H3,(H,15,19)(H,20,21).
What are the key properties of 2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60940554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).