2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid

C10H11FN2O3 — CID 140553951

IUPAC2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid
SMILESCC(N)(NC(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H11FN2O3/c1-10(12,9(15)16)13-8(14)6-2-4-7(11)5-3-6/h2-5H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyWWJGBRXZOMHYKR-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.31
Rot. Bonds3

About 2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid

2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid (PubChem CID 140553951) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid
PubChem CID140553951
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid
SMILESCC(N)(NC(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H11FN2O3/c1-10(12,9(15)16)13-8(14)6-2-4-7(11)5-3-6/h2-5H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyWWJGBRXZOMHYKR-UHFFFAOYSA-N
XLogP0.31
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 79795980
3-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64670730
2-ethyl-2-[(4-fluorobenzoyl)amino]butanoic acid
CID 79806593
N-(2-cyanopropan-2-yl)-4-fluorobenzamide
CID 60966958
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
N'-tert-butyl-4-fluorobenzohydrazide
CID 15617766
4-fluorobenzohydrazide
CID 9972
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 105486323
4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide
CID 3916831
3-amino-3-benzamido-2,2-dimethylbutanoic acid
CID 70321321

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of 2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid (CID 140553951) is 2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for 2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid is CC(N)(NC(=O)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid?
The InChIKey is WWJGBRXZOMHYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-10(12,9(15)16)13-8(14)6-2-4-7(11)5-3-6/h2-5H,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid?
2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid has a molecular weight of 226.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 140553951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).