(4S)-4-amino-6-chloro-5-oxohexanoic acid

C6H10ClNO3 — CID 14655222

IUPAC(4S)-4-amino-6-chloro-5-oxohexanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)CCl
InChIInChI=1S/C6H10ClNO3/c7-3-5(9)4(8)1-2-6(10)11/h4H,1-3,8H2,(H,10,11)/t4-/m0/s1
InChIKeyLSUGKISPCRANRS-BYPYZUCNSA-N
MW179.60 g/mol
LogP-0.01
Rot. Bonds5

About (4S)-4-amino-6-chloro-5-oxohexanoic acid

(4S)-4-amino-6-chloro-5-oxohexanoic acid (PubChem CID 14655222) has the molecular formula C6H10ClNO3 and a molecular weight of 179.60 g/mol. Its IUPAC name is (4S)-4-amino-6-chloro-5-oxohexanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-6-chloro-5-oxohexanoic acid
PubChem CID14655222
Molecular FormulaC6H10ClNO3
Molecular Weight179.60 g/mol
Exact Mass179.03
IUPAC Name(4S)-4-amino-6-chloro-5-oxohexanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)CCl
InChIInChI=1S/C6H10ClNO3/c7-3-5(9)4(8)1-2-6(10)11/h4H,1-3,8H2,(H,10,11)/t4-/m0/s1
InChIKeyLSUGKISPCRANRS-BYPYZUCNSA-N
XLogP-0.01
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.60
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (4S)-4-amino-6-chloro-5-oxohexanoic 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

(4S)-4-amino-5-oxooctanoic acid
CID 90935550
(4S)-4-amino-5-oxohenicosanedioic acid
CID 90040978
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
4-amino-5,7-dioxoheptanoic acid
CID 174506159
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
2-aminopentanedioic acid;hexahydrate
CID 173177476
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-6-chloro-5-oxohexanoic acid?
The IUPAC name of (4S)-4-amino-6-chloro-5-oxohexanoic acid (CID 14655222) is (4S)-4-amino-6-chloro-5-oxohexanoic acid.
What is the SMILES notation for (4S)-4-amino-6-chloro-5-oxohexanoic acid?
The canonical SMILES for (4S)-4-amino-6-chloro-5-oxohexanoic acid is N[C@@H](CCC(=O)O)C(=O)CCl.
What is the InChIKey of (4S)-4-amino-6-chloro-5-oxohexanoic acid?
The InChIKey is LSUGKISPCRANRS-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10ClNO3/c7-3-5(9)4(8)1-2-6(10)11/h4H,1-3,8H2,(H,10,11)/t4-/m0/s1.
What are the key properties of (4S)-4-amino-6-chloro-5-oxohexanoic acid?
(4S)-4-amino-6-chloro-5-oxohexanoic acid has a molecular weight of 179.60 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-6-chloro-5-oxohexanoic acid is sourced from PubChem (CID 14655222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).