(2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one

C8H16N2O4S — CID 69357157

IUPAC(2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one
SMILESCSCC[C@H](N)C(=O)O.O=C1NCCO1
InChIInChI=1S/C5H11NO2S.C3H5NO2/c1-9-3-2-4(6)5(7)8;5-3-4-1-2-6-3/h4H,2-3,6H2,1H3,(H,7,8);1-2H2,(H,4,5)/t4-;/m0./s1
InChIKeySEGUYRHCOJHERZ-WCCKRBBISA-N
MW236.29 g/mol
LogP-0.12
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one

(2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one (PubChem CID 69357157) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one
PubChem CID69357157
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one
SMILESCSCC[C@H](N)C(=O)O.O=C1NCCO1
InChIInChI=1S/C5H11NO2S.C3H5NO2/c1-9-3-2-4(6)5(7)8;5-3-4-1-2-6-3/h4H,2-3,6H2,1H3,(H,7,8);1-2H2,(H,4,5)/t4-;/m0./s1
InChIKeySEGUYRHCOJHERZ-WCCKRBBISA-N
XLogP-0.12
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methylsulfanylbutanoic acid;piperazine-2,3-dione
CID 67023954
(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
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 173007920
CID 173007920
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one (CID 69357157) is (2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one is CSCC[C@H](N)C(=O)O.O=C1NCCO1.
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one?
The InChIKey is SEGUYRHCOJHERZ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2S.C3H5NO2/c1-9-3-2-4(6)5(7)8;5-3-4-1-2-6-3/h4H,2-3,6H2,1H3,(H,7,8);1-2H2,(H,4,5)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one?
(2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one has a molecular weight of 236.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one is sourced from PubChem (CID 69357157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).