(2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate

C12H12FN2O4- — CID 2369526

IUPAC(2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
SMILESNC(=O)CC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)[O-]
InChIInChI=1S/C12H13FN2O4/c13-8-3-1-7(2-4-8)11(17)15-9(12(18)19)5-6-10(14)16/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t9-/m1/s1
InChIKeyKCUJDSOLGULFAG-SECBINFHSA-M
MW267.24 g/mol
LogP-1.06
Rot. Bonds6

About (2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate

(2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate (PubChem CID 2369526) has the molecular formula C12H12FN2O4- and a molecular weight of 267.24 g/mol. Its IUPAC name is (2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Name(2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
PubChem CID2369526
Molecular FormulaC12H12FN2O4-
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name(2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
SMILESNC(=O)CC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)[O-]
InChIInChI=1S/C12H13FN2O4/c13-8-3-1-7(2-4-8)11(17)15-9(12(18)19)5-6-10(14)16/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t9-/m1/s1
InChIKeyKCUJDSOLGULFAG-SECBINFHSA-M
XLogP-1.06
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-fluorobenzoyl)amino]-N-(3-propan-2-yloxypropyl)pentanediamide
CID 7958838
(2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate
CID 9403798
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
sodium;(2S)-2-[(4-aminobenzoyl)amino]pentanedioate;hydron
CID 86278232
bis((2S)-2-[(4-aminobenzoyl)amino]-5-hydroxy-5-oxopentanoate);tin(2+)
CID 70358108
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
CID 43084994
(2S)-5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 6993253
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
CID 4132140
(2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid
CID 107829702
(2S)-5-amino-2-[[4-[(E)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]-5-oxopentanoic acid
CID 70168851
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate?
The IUPAC name of (2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate (CID 2369526) is (2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate.
What is the SMILES notation for (2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate?
The canonical SMILES for (2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate is NC(=O)CC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)[O-].
What is the InChIKey of (2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate?
The InChIKey is KCUJDSOLGULFAG-SECBINFHSA-M. The full InChI is InChI=1S/C12H13FN2O4/c13-8-3-1-7(2-4-8)11(17)15-9(12(18)19)5-6-10(14)16/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t9-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate?
(2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate has a molecular weight of 267.24 g/mol, XLogP of -1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate is sourced from PubChem (CID 2369526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).