(2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid

C12H12BrFN2O4 — CID 107829702

IUPAC(2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)c1cc(F)cc(Br)c1)C(=O)O
InChIInChI=1S/C12H12BrFN2O4/c13-7-3-6(4-8(14)5-7)11(18)16-9(12(19)20)1-2-10(15)17/h3-5,9H,1-2H2,(H2,15,17)(H,16,18)(H,19,20)/t9-/m1/s1
InChIKeyDUYUWRJJLMEBPJ-SECBINFHSA-N
MW347.14 g/mol
LogP1.04
Rot. Bonds6

About (2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid (PubChem CID 107829702) has the molecular formula C12H12BrFN2O4 and a molecular weight of 347.14 g/mol. Its IUPAC name is (2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid
PubChem CID107829702
Molecular FormulaC12H12BrFN2O4
Molecular Weight347.14 g/mol
Exact Mass346.00
IUPAC Name(2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)c1cc(F)cc(Br)c1)C(=O)O
InChIInChI=1S/C12H12BrFN2O4/c13-7-3-6(4-8(14)5-7)11(18)16-9(12(19)20)1-2-10(15)17/h3-5,9H,1-2H2,(H2,15,17)(H,16,18)(H,19,20)/t9-/m1/s1
InChIKeyDUYUWRJJLMEBPJ-SECBINFHSA-N
XLogP1.04
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid 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

5-amino-2-[(3-bromo-5-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 107937702
5-amino-2-[(3-bromobenzoyl)amino]-5-oxopentanoic acid
CID 24693335
(2S)-5-amino-5-oxo-2-[(2,4,6-trifluorobenzoyl)amino]pentanoic acid
CID 65101287
(2R)-4-amino-2-[(3,5-dibromobenzoyl)amino]-4-oxobutanoic acid
CID 114022564
2-[(3,5-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243994
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042
5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
CID 43084994
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid
CID 107971162
5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
CID 43176049
3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 43476832
(2S)-5-amino-2-[(1-methylpyrrole-3-carbonyl)amino]-5-oxopentanoic acid
CID 110834835

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid (CID 107829702) is (2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)c1cc(F)cc(Br)c1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid?
The InChIKey is DUYUWRJJLMEBPJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H12BrFN2O4/c13-7-3-6(4-8(14)5-7)11(18)16-9(12(19)20)1-2-10(15)17/h3-5,9H,1-2H2,(H2,15,17)(H,16,18)(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid has a molecular weight of 347.14 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107829702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).