2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid

C15H18FNO4 — CID 81164326

IUPAC2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
SMILESCOc1ccc(C(=O)NCC2(CC(=O)O)CCC2)cc1F
InChIInChI=1S/C15H18FNO4/c1-21-12-4-3-10(7-11(12)16)14(20)17-9-15(5-2-6-15)8-13(18)19/h3-4,7H,2,5-6,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyKZANYEUIRRJMKP-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.21
Rot. Bonds6

About 2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81164326) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81164326
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
SMILESCOc1ccc(C(=O)NCC2(CC(=O)O)CCC2)cc1F
InChIInChI=1S/C15H18FNO4/c1-21-12-4-3-10(7-11(12)16)14(20)17-9-15(5-2-6-15)8-13(18)19/h3-4,7H,2,5-6,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyKZANYEUIRRJMKP-UHFFFAOYSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107207923
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
CID 103741367
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid (CID 81164326) is 2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid is COc1ccc(C(=O)NCC2(CC(=O)O)CCC2)cc1F.
What is the InChIKey of 2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is KZANYEUIRRJMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-12-4-3-10(7-11(12)16)14(20)17-9-15(5-2-6-15)8-13(18)19/h3-4,7H,2,5-6,8-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).