3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid

C13H16FNO3 — CID 81066397

IUPAC3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccc(F)cc1)CC(=O)O
InChIInChI=1S/C13H16FNO3/c1-2-9(7-12(16)17)8-15-13(18)10-3-5-11(14)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyIVLZCVNFVXLQGF-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.06
Rot. Bonds6

About 3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid

3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid (PubChem CID 81066397) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid
PubChem CID81066397
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccc(F)cc1)CC(=O)O
InChIInChI=1S/C13H16FNO3/c1-2-9(7-12(16)17)8-15-13(18)10-3-5-11(14)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyIVLZCVNFVXLQGF-UHFFFAOYSA-N
XLogP2.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 81067009
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864
3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 81065974
3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 81066104
3-[[(4-chloro-3-fluorobenzoyl)amino]methyl]pentanoic acid
CID 114025747
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
3-[(1,3-benzodioxole-5-carbonylamino)methyl]pentanoic acid
CID 81064781
3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81064154
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303
3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065631

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid (CID 81066397) is 3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1ccc(F)cc1)CC(=O)O.
What is the InChIKey of 3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid?
The InChIKey is IVLZCVNFVXLQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-2-9(7-12(16)17)8-15-13(18)10-3-5-11(14)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid?
3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid has a molecular weight of 253.27 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81066397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).