1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C15H19NO3 — CID 115181806

IUPAC1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(C)c(NC(=O)C2(C(=O)O)CC2)c1C
InChIInChI=1S/C15H19NO3/c1-8-7-9(2)11(4)12(10(8)3)16-13(17)15(5-6-15)14(18)19/h7H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyUAZGIGSBFJNQEO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.72
Rot. Bonds3

About 1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 115181806) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID115181806
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(C)c(NC(=O)C2(C(=O)O)CC2)c1C
InChIInChI=1S/C15H19NO3/c1-8-7-9(2)11(4)12(10(8)3)16-13(17)15(5-6-15)14(18)19/h7H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyUAZGIGSBFJNQEO-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095203
(2,3,5,6-tetramethylphenyl)carbamic acid
CID 115170617
1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide
CID 115181388
1-[(2,4,6-trichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034929
1-[(2-methyl-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096808
1-[(2,3,5,6-tetramethylphenyl)sulfonylcarbamoyl]cyclobutane-1-carboxylic acid
CID 167819890
1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181819
1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095862
1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242711
1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096644
1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096054
1-[(3-fluoro-4-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096062

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 115181806) is 1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is Cc1cc(C)c(C)c(NC(=O)C2(C(=O)O)CC2)c1C.
What is the InChIKey of 1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UAZGIGSBFJNQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-8-7-9(2)11(4)12(10(8)3)16-13(17)15(5-6-15)14(18)19/h7H,5-6H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115181806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).