(2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide

C8H16N2O3S — CID 87308343

IUPAC(2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide
SMILESC=CC(N)=O.CSCC[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2S.C3H5NO/c1-9-3-2-4(6)5(7)8;1-2-3(4)5/h4H,2-3,6H2,1H3,(H,7,8);2H,1H2,(H2,4,5)/t4-;/m0./s1
InChIKeyMWIWHUIRKQHVTB-WCCKRBBISA-N
MW220.29 g/mol
LogP-0.19
Rot. Bonds5

About (2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide

(2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide (PubChem CID 87308343) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide
PubChem CID87308343
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide
SMILESC=CC(N)=O.CSCC[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2S.C3H5NO/c1-9-3-2-4(6)5(7)8;1-2-3(4)5/h4H,2-3,6H2,1H3,(H,7,8);2H,1H2,(H2,4,5)/t4-;/m0./s1
InChIKeyMWIWHUIRKQHVTB-WCCKRBBISA-N
XLogP-0.19
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;guanidine
CID 157213909
CID 173007920
CID 173007920
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide (CID 87308343) is (2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide is C=CC(N)=O.CSCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide?
The InChIKey is MWIWHUIRKQHVTB-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2S.C3H5NO/c1-9-3-2-4(6)5(7)8;1-2-3(4)5/h4H,2-3,6H2,1H3,(H,7,8);2H,1H2,(H2,4,5)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide?
(2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide has a molecular weight of 220.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide is sourced from PubChem (CID 87308343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).