4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid

C11H12FNO3 — CID 82348060

IUPAC4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c12-8-3-1-7(2-4-8)11(16)9(13)5-6-10(14)15/h1-4,9H,5-6,13H2,(H,14,15)
InChIKeyVRCMJCYRJJZJEK-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.20
Rot. Bonds5

About 4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid

4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid (PubChem CID 82348060) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid
PubChem CID82348060
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c12-8-3-1-7(2-4-8)11(16)9(13)5-6-10(14)15/h1-4,9H,5-6,13H2,(H,14,15)
InChIKeyVRCMJCYRJJZJEK-UHFFFAOYSA-N
XLogP1.20
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-5-oxo-5-phenylpentanoic acid
CID 95949821
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 64895789
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid
CID 82348044
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
5-amino-3-(4-fluorobenzoyl)pentanoic acid
CID 171115074
(2S)-2-aminopentanedioic acid;benzene
CID 161035359
4-(2-chloro-3,5-difluorophenyl)-5-(4-fluorophenyl)-5-oxopentanoic acid
CID 142405830
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
(2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 101158514
4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid
CID 141006930

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid (CID 82348060) is 4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid?
The InChIKey is VRCMJCYRJJZJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-8-3-1-7(2-4-8)11(16)9(13)5-6-10(14)15/h1-4,9H,5-6,13H2,(H,14,15).
What are the key properties of 4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid?
4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid has a molecular weight of 225.22 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid is sourced from PubChem (CID 82348060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).