(2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol

C9H15NO4S — CID 90119471

IUPAC(2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol
SMILESCSCC[C@H](N)C(=O)O.Oc1ccco1
InChIInChI=1S/C5H11NO2S.C4H4O2/c1-9-3-2-4(6)5(7)8;5-4-2-1-3-6-4/h4H,2-3,6H2,1H3,(H,7,8);1-3,5H/t4-;/m0./s1
InChIKeyCDFYOPDIGNGOTJ-WCCKRBBISA-N
MW233.29 g/mol
LogP1.14
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol

(2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol (PubChem CID 90119471) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol
PubChem CID90119471
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol
SMILESCSCC[C@H](N)C(=O)O.Oc1ccco1
InChIInChI=1S/C5H11NO2S.C4H4O2/c1-9-3-2-4(6)5(7)8;5-4-2-1-3-6-4/h4H,2-3,6H2,1H3,(H,7,8);1-3,5H/t4-;/m0./s1
InChIKeyCDFYOPDIGNGOTJ-WCCKRBBISA-N
XLogP1.14
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol (CID 90119471) is (2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol is CSCC[C@H](N)C(=O)O.Oc1ccco1.
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol?
The InChIKey is CDFYOPDIGNGOTJ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2S.C4H4O2/c1-9-3-2-4(6)5(7)8;5-4-2-1-3-6-4/h4H,2-3,6H2,1H3,(H,7,8);1-3,5H/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol?
(2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol has a molecular weight of 233.29 g/mol, XLogP of 1.14, 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;furan-2-ol is sourced from PubChem (CID 90119471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).