(2S)-2-amino-N,3-dimethylbutanamide;hydrochloride

C6H15ClN2O — CID 20598795

IUPAC(2S)-2-amino-N,3-dimethylbutanamide;hydrochloride
SMILESCNC(=O)[C@@H](N)C(C)C.Cl
InChIInChI=1S/C6H14N2O.ClH/c1-4(2)5(7)6(9)8-3;/h4-5H,7H2,1-3H3,(H,8,9);1H/t5-;/m0./s1
InChIKeyPPEBJEOKRFEESV-JEDNCBNOSA-N
MW166.65 g/mol
LogP0.14
Rot. Bonds2

About (2S)-2-amino-N,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N,3-dimethylbutanamide;hydrochloride (PubChem CID 20598795) has the molecular formula C6H15ClN2O and a molecular weight of 166.65 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethylbutanamide;hydrochloride
PubChem CID20598795
Molecular FormulaC6H15ClN2O
Molecular Weight166.65 g/mol
Exact Mass166.09
IUPAC Name(2S)-2-amino-N,3-dimethylbutanamide;hydrochloride
SMILESCNC(=O)[C@@H](N)C(C)C.Cl
InChIInChI=1S/C6H14N2O.ClH/c1-4(2)5(7)6(9)8-3;/h4-5H,7H2,1-3H3,(H,8,9);1H/t5-;/m0./s1
InChIKeyPPEBJEOKRFEESV-JEDNCBNOSA-N
XLogP0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N,3-dimethylbutanamide;hydrochloride (CID 20598795) is (2S)-2-amino-N,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N,3-dimethylbutanamide;hydrochloride is CNC(=O)[C@@H](N)C(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N,3-dimethylbutanamide;hydrochloride?
The InChIKey is PPEBJEOKRFEESV-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O.ClH/c1-4(2)5(7)6(9)8-3;/h4-5H,7H2,1-3H3,(H,8,9);1H/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-N,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N,3-dimethylbutanamide;hydrochloride has a molecular weight of 166.65 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 20598795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).