2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid

C8H18N2O5S — CID 22104052

IUPAC2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid
SMILESCSCCC(N)C(=O)O.NC(CO)C(=O)O
InChIInChI=1S/C5H11NO2S.C3H7NO3/c1-9-3-2-4(6)5(7)8;4-2(1-5)3(6)7/h4H,2-3,6H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7)
InChIKeyXMAGGKXFUYTRAI-UHFFFAOYSA-N
MW254.31 g/mol
LogP-1.46
Rot. Bonds6

About 2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid

2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid (PubChem CID 22104052) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid
PubChem CID22104052
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid
SMILESCSCCC(N)C(=O)O.NC(CO)C(=O)O
InChIInChI=1S/C5H11NO2S.C3H7NO3/c1-9-3-2-4(6)5(7)8;4-2(1-5)3(6)7/h4H,2-3,6H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7)
InChIKeyXMAGGKXFUYTRAI-UHFFFAOYSA-N
XLogP-1.46
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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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
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid (CID 22104052) is 2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid is CSCCC(N)C(=O)O.NC(CO)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid?
The InChIKey is XMAGGKXFUYTRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.C3H7NO3/c1-9-3-2-4(6)5(7)8;4-2(1-5)3(6)7/h4H,2-3,6H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7).
What are the key properties of 2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid?
2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid has a molecular weight of 254.31 g/mol, XLogP of -1.46, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxypropanoic acid;2-amino-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 22104052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).