3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid

C14H18FNO4 — CID 64671122

IUPAC3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
SMILESCOc1ccc(CC(=O)NC(C)(C)CC(=O)O)cc1F
InChIInChI=1S/C14H18FNO4/c1-14(2,8-13(18)19)16-12(17)7-9-4-5-11(20-3)10(15)6-9/h4-6H,7-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyQFWMHWVKXATEHZ-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.75
Rot. Bonds6

About 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid

3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid (PubChem CID 64671122) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
PubChem CID64671122
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
SMILESCOc1ccc(CC(=O)NC(C)(C)CC(=O)O)cc1F
InChIInChI=1S/C14H18FNO4/c1-14(2,8-13(18)19)16-12(17)7-9-4-5-11(20-3)10(15)6-9/h4-6H,7-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyQFWMHWVKXATEHZ-UHFFFAOYSA-N
XLogP1.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43393255
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670700
3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110001057
3-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 64672095
1-(3-fluoro-4-methoxyphenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446280
N-(2,2-difluoro-3-hydroxypropyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 104858213
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
3-[(4-fluoro-3-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 81283508
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
3-[[2-(4-bromophenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670695
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116555256

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid (CID 64671122) is 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid is COc1ccc(CC(=O)NC(C)(C)CC(=O)O)cc1F.
What is the InChIKey of 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid?
The InChIKey is QFWMHWVKXATEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-14(2,8-13(18)19)16-12(17)7-9-4-5-11(20-3)10(15)6-9/h4-6H,7-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid?
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid has a molecular weight of 283.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 64671122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).