2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid

C11H13FN2O3 — CID 63188710

IUPAC2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(N)c(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O3/c1-11(2,10(16)17)14-9(15)6-3-4-8(13)7(12)5-6/h3-5H,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBPHHMQMHVWTABO-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.00
Rot. Bonds3

About 2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid

2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid (PubChem CID 63188710) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid
PubChem CID63188710
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(N)c(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O3/c1-11(2,10(16)17)14-9(15)6-3-4-8(13)7(12)5-6/h3-5H,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBPHHMQMHVWTABO-UHFFFAOYSA-N
XLogP1.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62682424
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide
CID 106095377
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
2-methyl-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid
CID 61262064
4-amino-N-(2,5-dimethylpyrrol-1-yl)-3-fluorobenzamide
CID 79100668
4-amino-3-fluoro-N-prop-2-ynylbenzamide
CID 62678151
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid (CID 63188710) is 2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1ccc(N)c(F)c1)C(=O)O.
What is the InChIKey of 2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is BPHHMQMHVWTABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-11(2,10(16)17)14-9(15)6-3-4-8(13)7(12)5-6/h3-5H,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid?
2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 240.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 63188710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).