(3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride

C8H19ClN2O2 — CID 18632877

IUPAC(3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride
SMILESCNC(=O)C(O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C8H18N2O2.ClH/c1-5(2)4-6(9)7(11)8(12)10-3;/h5-7,11H,4,9H2,1-3H3,(H,10,12);1H/t6-,7?;/m0./s1
InChIKeyWYMQGPVTASDLAN-OXIGJRIQSA-N
MW210.71 g/mol
LogP-0.11
Rot. Bonds4

About (3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride

(3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride (PubChem CID 18632877) has the molecular formula C8H19ClN2O2 and a molecular weight of 210.71 g/mol. Its IUPAC name is (3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride
PubChem CID18632877
Molecular FormulaC8H19ClN2O2
Molecular Weight210.71 g/mol
Exact Mass210.11
IUPAC Name(3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride
SMILESCNC(=O)C(O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C8H18N2O2.ClH/c1-5(2)4-6(9)7(11)8(12)10-3;/h5-7,11H,4,9H2,1-3H3,(H,10,12);1H/t6-,7?;/m0./s1
InChIKeyWYMQGPVTASDLAN-OXIGJRIQSA-N
XLogP-0.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride?
The IUPAC name of (3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride (CID 18632877) is (3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride.
What is the SMILES notation for (3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride?
The canonical SMILES for (3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride is CNC(=O)C(O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride?
The InChIKey is WYMQGPVTASDLAN-OXIGJRIQSA-N. The full InChI is InChI=1S/C8H18N2O2.ClH/c1-5(2)4-6(9)7(11)8(12)10-3;/h5-7,11H,4,9H2,1-3H3,(H,10,12);1H/t6-,7?;/m0./s1.
What are the key properties of (3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride?
(3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride has a molecular weight of 210.71 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-hydroxy-N,5-dimethylhexanamide;hydrochloride is sourced from PubChem (CID 18632877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).