1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid

C14H17NO4 — CID 62097334

IUPAC1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1N(C)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C14H17NO4/c1-15(10-6-3-4-7-11(10)19-2)12(16)14(13(17)18)8-5-9-14/h3-4,6-7H,5,8-9H2,1-2H3,(H,17,18)
InChIKeyAEXSGLQGFSQRSI-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.91
Rot. Bonds4

About 1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid

1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62097334) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62097334
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1N(C)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C14H17NO4/c1-15(10-6-3-4-7-11(10)19-2)12(16)14(13(17)18)8-5-9-14/h3-4,6-7H,5,8-9H2,1-2H3,(H,17,18)
InChIKeyAEXSGLQGFSQRSI-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 80596960
1-[methyl-(2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62097503
1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095246
4-ethyl-N-(2-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 63129012
1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 61461787
1-[(2,5-difluorophenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 115183843
N-(2-methoxyphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106975064
2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
CID 154843476
2-(azetidin-3-yl)-N-(2-methoxyphenyl)-N-methylacetamide
CID 64609788
1-(2-methoxyphenyl)-N,N-dimethylcyclobutane-1-carboxamide
CID 110436778
3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835053
4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782486

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 62097334) is 1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid is COc1ccccc1N(C)C(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is AEXSGLQGFSQRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15(10-6-3-4-7-11(10)19-2)12(16)14(13(17)18)8-5-9-14/h3-4,6-7H,5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62097334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).