amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride

C5H13ClN2O2S — CID 141292126

IUPACamino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
SMILESCSCC[C@H](N)C(=O)ON.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-10-3-2-4(6)5(8)9-7;/h4H,2-3,6-7H2,1H3;1H/t4-;/m0./s1
InChIKeyNIIWIOCUJJWNLC-WCCKRBBISA-N
MW200.69 g/mol
LogP-0.09
Rot. Bonds4

About amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride

amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride (PubChem CID 141292126) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride.

Molecular Properties

Compound Nameamino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
PubChem CID141292126
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC Nameamino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
SMILESCSCC[C@H](N)C(=O)ON.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-10-3-2-4(6)5(8)9-7;/h4H,2-3,6-7H2,1H3;1H/t4-;/m0./s1
InChIKeyNIIWIOCUJJWNLC-WCCKRBBISA-N
XLogP-0.09
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-methylsulfanylbutanoyl)oxymethyl 2-amino-4-methylsulfanylbutanoate
CID 158198459
2,3-diaminopropanoyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 88794349
methyl 2-amino-4-methylsulfanylbutanoate chloride
CID 170923229
iodo (2S)-2-amino-4-methylsulfanylbutanoate
CID 18444120
methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
CID 138397899
2-[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87587712
butyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 139951109
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496

Frequently Asked Questions

What is the IUPAC name of amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
The IUPAC name of amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride (CID 141292126) is amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride.
What is the SMILES notation for amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
The canonical SMILES for amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride is CSCC[C@H](N)C(=O)ON.Cl.
What is the InChIKey of amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
The InChIKey is NIIWIOCUJJWNLC-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12N2O2S.ClH/c1-10-3-2-4(6)5(8)9-7;/h4H,2-3,6-7H2,1H3;1H/t4-;/m0./s1.
What are the key properties of amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride is sourced from PubChem (CID 141292126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).