2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride

C5H13ClN2O2S — CID 87530289

IUPAC2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCCC(N)C(=O)NO.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-10-3-2-4(6)5(8)7-9;/h4,9H,2-3,6H2,1H3,(H,7,8);1H
InChIKeyLBPPIYLEDXCWGG-UHFFFAOYSA-N
MW200.69 g/mol
LogP-0.01
Rot. Bonds4

About 2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride

2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 87530289) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
PubChem CID87530289
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC Name2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCCC(N)C(=O)NO.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-10-3-2-4(6)5(8)7-9;/h4,9H,2-3,6H2,1H3,(H,7,8);1H
InChIKeyLBPPIYLEDXCWGG-UHFFFAOYSA-N
XLogP-0.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite
CID 158556159
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2S)-2-amino-N-cyano-4-methylsulfanylbutanamide
CID 79193616
(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 119290996
2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 102454632
(2S)-2-amino-N-(cyanomethyl)-4-methylsulfanylbutanamide
CID 61252327
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide
CID 106349776
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-hydroxypropanoate
CID 107222588

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride (CID 87530289) is 2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride is CSCCC(N)C(=O)NO.Cl.
What is the InChIKey of 2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is LBPPIYLEDXCWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.ClH/c1-10-3-2-4(6)5(8)7-9;/h4,9H,2-3,6H2,1H3,(H,7,8);1H.
What are the key properties of 2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride?
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 87530289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).