4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid

C13H16FNO3 — CID 62042184

IUPAC4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO3/c1-13(2,7-6-11(16)17)15-12(18)9-4-3-5-10(14)8-9/h3-5,8H,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyGQQLIQDLAZWDTO-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.20
Rot. Bonds5

About 4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid

4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 62042184) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
PubChem CID62042184
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO3/c1-13(2,7-6-11(16)17)15-12(18)9-4-3-5-10(14)8-9/h3-5,8H,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyGQQLIQDLAZWDTO-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 91636058
4-[[3-[[benzyl(methyl)amino]methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357272
4-methyl-4-[(3-nitrobenzoyl)amino]pentanoic acid
CID 62043921
4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119357561
4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357228
3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid
CID 74241550
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
CID 119204515
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
CID 106164885

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid (CID 62042184) is 4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is GQQLIQDLAZWDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-13(2,7-6-11(16)17)15-12(18)9-4-3-5-10(14)8-9/h3-5,8H,6-7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid?
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 253.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62042184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).