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

C15H19NO4 — CID 62095246

IUPAC1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1CN(C)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C15H19NO4/c1-16(10-11-6-3-4-7-12(11)20-2)13(17)15(14(18)19)8-5-9-15/h3-4,6-7H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyCPKOIMXSQWQDOL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.91
Rot. Bonds5

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

1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62095246) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62095246
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1CN(C)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C15H19NO4/c1-16(10-11-6-3-4-7-12(11)20-2)13(17)15(14(18)19)8-5-9-15/h3-4,6-7H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyCPKOIMXSQWQDOL-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
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-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097334
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 9110944
4-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 63128870
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 55521659
3-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 63131997
1-[methyl-[(4-methylphenyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 62095554
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
1-[(2,5-difluorophenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181917
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81172694
2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 64610785
2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977987

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 62095246) is 1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid is COc1ccccc1CN(C)C(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is CPKOIMXSQWQDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16(10-11-6-3-4-7-12(11)20-2)13(17)15(14(18)19)8-5-9-15/h3-4,6-7H,5,8-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62095246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).