2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C15H19NO4 — CID 120975519

IUPAC2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(CNC(=O)C2CCC2C(=O)O)ccc1C
InChIInChI=1S/C15H19NO4/c1-9-3-4-10(7-13(9)20-2)8-16-14(17)11-5-6-12(11)15(18)19/h3-4,7,11-12H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySKEDMZHUMNIDFY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.73
Rot. Bonds5

About 2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975519) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975519
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(CNC(=O)C2CCC2C(=O)O)ccc1C
InChIInChI=1S/C15H19NO4/c1-9-3-4-10(7-13(9)20-2)8-16-14(17)11-5-6-12(11)15(18)19/h3-4,7,11-12H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySKEDMZHUMNIDFY-UHFFFAOYSA-N
XLogP1.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975161
2-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185445
2-[(4-chloro-3-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977329
2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide
CID 128995855
2-[(3-butoxy-4-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22686669
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746
1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130474
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
N-[(3,4-dimethoxyphenyl)methyl]-2-iodocyclopropane-1-carboxamide
CID 78158837
trans-(1S,2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6957823
(2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 128980543

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975519) is 2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is COc1cc(CNC(=O)C2CCC2C(=O)O)ccc1C.
What is the InChIKey of 2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is SKEDMZHUMNIDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-3-4-10(7-13(9)20-2)8-16-14(17)11-5-6-12(11)15(18)19/h3-4,7,11-12H,5-6,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).