(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid

C9H20N2O5S — CID 87262145

IUPAC(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid
SMILESCSCC[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2S.C4H9NO3/c1-9-3-2-4(6)5(7)8;1-2(6)3(5)4(7)8/h4H,2-3,6H2,1H3,(H,7,8);2-3,6H,5H2,1H3,(H,7,8)/t4-;2-,3+/m01/s1
InChIKeyCTZLFGHINCLEQA-LELNYTAUSA-N
MW268.33 g/mol
LogP-1.07
Rot. Bonds6

About (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid

(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid (PubChem CID 87262145) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid
PubChem CID87262145
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Name(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid
SMILESCSCC[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2S.C4H9NO3/c1-9-3-2-4(6)5(7)8;1-2(6)3(5)4(7)8/h4H,2-3,6H2,1H3,(H,7,8);2-3,6H,5H2,1H3,(H,7,8)/t4-;2-,3+/m01/s1
InChIKeyCTZLFGHINCLEQA-LELNYTAUSA-N
XLogP-1.07
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-1.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid 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-(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
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
2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid
CID 22104052
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid (CID 87262145) is (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid is CSCC[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid?
The InChIKey is CTZLFGHINCLEQA-LELNYTAUSA-N. The full InChI is InChI=1S/C5H11NO2S.C4H9NO3/c1-9-3-2-4(6)5(7)8;1-2(6)3(5)4(7)8/h4H,2-3,6H2,1H3,(H,7,8);2-3,6H,5H2,1H3,(H,7,8)/t4-;2-,3+/m01/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid?
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid has a molecular weight of 268.33 g/mol, XLogP of -1.07, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 87262145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).