1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C14H17NO4 — CID 115181819

IUPAC1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)C2(C(=O)O)CC2)c(C)c1C
InChIInChI=1S/C14H17NO4/c1-8-9(2)11(19-3)5-4-10(8)15-12(16)14(6-7-14)13(17)18/h4-5H,6-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyPOEZGYBLPMSERF-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.12
Rot. Bonds4

About 1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 115181819) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID115181819
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)C2(C(=O)O)CC2)c(C)c1C
InChIInChI=1S/C14H17NO4/c1-8-9(2)11(19-3)5-4-10(8)15-12(16)14(6-7-14)13(17)18/h4-5H,6-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyPOEZGYBLPMSERF-UHFFFAOYSA-N
XLogP2.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096794
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
1-[(2-methoxy-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62881395
1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096644
1-[(2-chloro-4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181821
N-(4-methoxy-2,3-dimethylphenyl)-2-methylpropanamide
CID 110777719
3-[(2,3,4-trimethylphenyl)carbamoyl]oxetane-3-carboxylic acid
CID 115184921
1-[(4-bromo-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82860618
1-N'-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981413
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981643
1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181806
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982635

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 115181819) is 1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is COc1ccc(NC(=O)C2(C(=O)O)CC2)c(C)c1C.
What is the InChIKey of 1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is POEZGYBLPMSERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8-9(2)11(19-3)5-4-10(8)15-12(16)14(6-7-14)13(17)18/h4-5H,6-7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115181819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).