sodium;(2S)-2-aminobutanamide;hydride;hydrochloride

C4H12ClN2NaO — CID 174916391

IUPACsodium;(2S)-2-aminobutanamide;hydride;hydrochloride
SMILESCC[C@H](N)C(N)=O.Cl.[H-].[Na+]
InChIInChI=1S/C4H10N2O.ClH.Na.H/c1-2-3(5)4(6)7;;;/h3H,2,5H2,1H3,(H2,6,7);1H;;/q;;+1;-1/t3-;;;/m0.../s1
InChIKeyKWWXRBOTGYVAJE-LHWPGRLPSA-N
MW162.60 g/mol
LogP-3.25
Rot. Bonds2

About sodium;(2S)-2-aminobutanamide;hydride;hydrochloride

sodium;(2S)-2-aminobutanamide;hydride;hydrochloride (PubChem CID 174916391) has the molecular formula C4H12ClN2NaO and a molecular weight of 162.60 g/mol. Its IUPAC name is sodium;(2S)-2-aminobutanamide;hydride;hydrochloride.

Molecular Properties

Compound Namesodium;(2S)-2-aminobutanamide;hydride;hydrochloride
PubChem CID174916391
Molecular FormulaC4H12ClN2NaO
Molecular Weight162.60 g/mol
Exact Mass162.05
IUPAC Namesodium;(2S)-2-aminobutanamide;hydride;hydrochloride
SMILESCC[C@H](N)C(N)=O.Cl.[H-].[Na+]
InChIInChI=1S/C4H10N2O.ClH.Na.H/c1-2-3(5)4(6)7;;;/h3H,2,5H2,1H3,(H2,6,7);1H;;/q;;+1;-1/t3-;;;/m0.../s1
InChIKeyKWWXRBOTGYVAJE-LHWPGRLPSA-N
XLogP-3.25
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.60
LogP ≤ 5-3.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminopropanamide
CID 350287
Valinamide
CID 445637
L-Alaninamide
CID 444939
L-Valinamide--hydrogen chloride (1/1)
CID 13689583
(2S)-2-aminopentanamide
CID 447593
(2S)-2-Aminobutanamide hydrochloride
CID 11961924
(2R)-2-aminopropanamide
CID 446080
(2R)-2-Aminopropanamide hydrochloride
CID 2775814
(S)-2-aminopropanamide hydrochloride
CID 2775816
2-Aminopropanamide hydrochloride
CID 12317286
L-alanine amide
CID 7000173
2-Aminobutanamide hydrochloride
CID 14333659

Frequently Asked Questions

What is the IUPAC name of sodium;(2S)-2-aminobutanamide;hydride;hydrochloride?
The IUPAC name of sodium;(2S)-2-aminobutanamide;hydride;hydrochloride (CID 174916391) is sodium;(2S)-2-aminobutanamide;hydride;hydrochloride.
What is the SMILES notation for sodium;(2S)-2-aminobutanamide;hydride;hydrochloride?
The canonical SMILES for sodium;(2S)-2-aminobutanamide;hydride;hydrochloride is CC[C@H](N)C(N)=O.Cl.[H-].[Na+].
What is the InChIKey of sodium;(2S)-2-aminobutanamide;hydride;hydrochloride?
The InChIKey is KWWXRBOTGYVAJE-LHWPGRLPSA-N. The full InChI is InChI=1S/C4H10N2O.ClH.Na.H/c1-2-3(5)4(6)7;;;/h3H,2,5H2,1H3,(H2,6,7);1H;;/q;;+1;-1/t3-;;;/m0.../s1.
What are the key properties of sodium;(2S)-2-aminobutanamide;hydride;hydrochloride?
sodium;(2S)-2-aminobutanamide;hydride;hydrochloride has a molecular weight of 162.60 g/mol, XLogP of -3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S)-2-aminobutanamide;hydride;hydrochloride is sourced from PubChem (CID 174916391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).