(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride

C8H20Cl2N2O2 — CID 86762425

IUPAC(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
SMILESCCC[C@H](N)[C@H](O)C(=O)NCC.Cl.Cl
InChIInChI=1S/C8H18N2O2.2ClH/c1-3-5-6(9)7(11)8(12)10-4-2;;/h6-7,11H,3-5,9H2,1-2H3,(H,10,12);2*1H/t6-,7-;;/m0../s1
InChIKeyFKCRWJRQWGLCKK-JFYKYWLVSA-N
MW247.17 g/mol
LogP0.45
Rot. Bonds5

About (2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride

(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride (PubChem CID 86762425) has the molecular formula C8H20Cl2N2O2 and a molecular weight of 247.17 g/mol. Its IUPAC name is (2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
PubChem CID86762425
Molecular FormulaC8H20Cl2N2O2
Molecular Weight247.17 g/mol
Exact Mass246.09
IUPAC Name(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
SMILESCCC[C@H](N)[C@H](O)C(=O)NCC.Cl.Cl
InChIInChI=1S/C8H18N2O2.2ClH/c1-3-5-6(9)7(11)8(12)10-4-2;;/h6-7,11H,3-5,9H2,1-2H3,(H,10,12);2*1H/t6-,7-;;/m0../s1
InChIKeyFKCRWJRQWGLCKK-JFYKYWLVSA-N
XLogP0.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride 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

3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride
CID 139291083
(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
CID 86762421
methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
CID 90189651
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
3-amino-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]hexanamide
CID 142118919
methyl (2S,3R)-3-amino-2-hydroxyhexanoate
CID 56605369
(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
(4S)-4-amino-3-hydroxyheptan-2-one
CID 58331979
ethane;prop-2-enyl 2-[(3-amino-2-hydroxyhexanoyl)amino]acetate
CID 142110693
3-amino-2-hydroxy-N-prop-2-enylheptanamide;hydrochloride
CID 139291082
ethane;ethyl 3-amino-2-hydroxyhexanoate
CID 143089421
2-amino-N,N'-diethylpropanediamide
CID 88901749

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride?
The IUPAC name of (2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride (CID 86762425) is (2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride.
What is the SMILES notation for (2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride?
The canonical SMILES for (2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride is CCC[C@H](N)[C@H](O)C(=O)NCC.Cl.Cl.
What is the InChIKey of (2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride?
The InChIKey is FKCRWJRQWGLCKK-JFYKYWLVSA-N. The full InChI is InChI=1S/C8H18N2O2.2ClH/c1-3-5-6(9)7(11)8(12)10-4-2;;/h6-7,11H,3-5,9H2,1-2H3,(H,10,12);2*1H/t6-,7-;;/m0../s1.
What are the key properties of (2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride?
(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride has a molecular weight of 247.17 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride is sourced from PubChem (CID 86762425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).