(3R,4S)-4-amino-3-hydroxyhexan-2-one

C6H13NO2 — CID 138626459

IUPAC(3R,4S)-4-amino-3-hydroxyhexan-2-one
SMILESCC[C@H](N)[C@@H](O)C(C)=O
InChIInChI=1S/C6H13NO2/c1-3-5(7)6(9)4(2)8/h5-6,9H,3,7H2,1-2H3/t5-,6-/m0/s1
InChIKeyVBMOPPRWCSSERV-WDSKDSINSA-N
MW131.17 g/mol
LogP-0.33
Rot. Bonds3

About (3R,4S)-4-amino-3-hydroxyhexan-2-one

(3R,4S)-4-amino-3-hydroxyhexan-2-one (PubChem CID 138626459) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (3R,4S)-4-amino-3-hydroxyhexan-2-one.

Molecular Properties

Compound Name(3R,4S)-4-amino-3-hydroxyhexan-2-one
PubChem CID138626459
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(3R,4S)-4-amino-3-hydroxyhexan-2-one
SMILESCC[C@H](N)[C@@H](O)C(C)=O
InChIInChI=1S/C6H13NO2/c1-3-5(7)6(9)4(2)8/h5-6,9H,3,7H2,1-2H3/t5-,6-/m0/s1
InChIKeyVBMOPPRWCSSERV-WDSKDSINSA-N
XLogP-0.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-4-amino-3-hydroxyhexan-2-one 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-3-hydroxyheptan-2-one
CID 58331979
3,4-diaminohexan-2-one
CID 21059294
(4S)-4-amino-3-hydroxyoct-7-en-2-one
CID 148867411
(3R,4R)-4-amino-3-hydroxypentan-2-one
CID 59046379
3-amino-N-cyclopropyl-2-hydroxypentanamide;hydrochloride
CID 67385613
(2R)-2-aminobutane-1,1-diol
CID 148517870
(3S,4S)-3-hydroxy-4-(hydroxymethyl)hexan-2-one
CID 126670723
(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360
hexane-3,4-diamine
CID 12656175
(3R,4S)-4-aminohexan-3-ol
CID 640991
ethyl (2R,3S)-3-hydroxy-2-methyl-4-oxopentanoate
CID 58991559
4,6-diamino-3,5-dihydroxyhexan-2-one
CID 134382190

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-3-hydroxyhexan-2-one?
The IUPAC name of (3R,4S)-4-amino-3-hydroxyhexan-2-one (CID 138626459) is (3R,4S)-4-amino-3-hydroxyhexan-2-one.
What is the SMILES notation for (3R,4S)-4-amino-3-hydroxyhexan-2-one?
The canonical SMILES for (3R,4S)-4-amino-3-hydroxyhexan-2-one is CC[C@H](N)[C@@H](O)C(C)=O.
What is the InChIKey of (3R,4S)-4-amino-3-hydroxyhexan-2-one?
The InChIKey is VBMOPPRWCSSERV-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-5(7)6(9)4(2)8/h5-6,9H,3,7H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (3R,4S)-4-amino-3-hydroxyhexan-2-one?
(3R,4S)-4-amino-3-hydroxyhexan-2-one has a molecular weight of 131.17 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-3-hydroxyhexan-2-one is sourced from PubChem (CID 138626459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).