2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C14H16FNO4 — CID 120975161

IUPAC2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(CNC(=O)C2CCC2C(=O)O)cc1F
InChIInChI=1S/C14H16FNO4/c1-20-12-5-2-8(6-11(12)15)7-16-13(17)9-3-4-10(9)14(18)19/h2,5-6,9-10H,3-4,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyMDLWSXNSXMXHIC-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.56
Rot. Bonds5

About 2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975161) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975161
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(CNC(=O)C2CCC2C(=O)O)cc1F
InChIInChI=1S/C14H16FNO4/c1-20-12-5-2-8(6-11(12)15)7-16-13(17)9-3-4-10(9)14(18)19/h2,5-6,9-10H,3-4,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyMDLWSXNSXMXHIC-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975519
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
(2S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150529
2-[(3-butoxy-4-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22686669
5-[[[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688322
(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154814596
5-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688305
N-[(3,4-dimethoxyphenyl)methyl]-2-iodocyclopropane-1-carboxamide
CID 78158837
(2S)-2-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 74250640
(3R,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925219
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
2-[(3-chloro-4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 62537256

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975161) is 2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is COc1ccc(CNC(=O)C2CCC2C(=O)O)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is MDLWSXNSXMXHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-12-5-2-8(6-11(12)15)7-16-13(17)9-3-4-10(9)14(18)19/h2,5-6,9-10H,3-4,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).