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

C11H12FNO3 — CID 45122380

IUPAC2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H12FNO3/c1-11(2,10(15)16)13-9(14)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyYAWHWVXBLLOCBD-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.42
Rot. Bonds3

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

2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid (PubChem CID 45122380) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
PubChem CID45122380
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H12FNO3/c1-11(2,10(15)16)13-9(14)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyYAWHWVXBLLOCBD-UHFFFAOYSA-N
XLogP1.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid
CID 140553951
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
2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 63188710
2-[(4-acetyloxybenzoyl)amino]-2-methylpropanoic acid
CID 11623115
2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120516012
2-methyl-2-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]propanoic acid
CID 120515987
N-(2-cyanopropan-2-yl)-4-fluorobenzamide
CID 60966958
2-methyl-2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]propanoic acid
CID 119187579
2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 61261161
2-methyl-2-[(4-pentylbenzoyl)amino]propanoic acid
CID 167119423

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid (CID 45122380) is 2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is YAWHWVXBLLOCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-11(2,10(15)16)13-9(14)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 225.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 45122380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).