2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid

C6H11NO3S — CID 43082896

IUPAC2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid
SMILESCC(SC(C)C(=O)O)C(N)=O
InChIInChI=1S/C6H11NO3S/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H2,7,8)(H,9,10)
InChIKeyXWVVWKYYDFSHIM-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.07
Rot. Bonds4

About 2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid

2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid (PubChem CID 43082896) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid
PubChem CID43082896
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid
SMILESCC(SC(C)C(=O)O)C(N)=O
InChIInChI=1S/C6H11NO3S/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H2,7,8)(H,9,10)
InChIKeyXWVVWKYYDFSHIM-UHFFFAOYSA-N
XLogP0.07
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-ylsulfanylpropanamide
CID 59881908
2-(1-hydroxypropan-2-ylsulfanyl)propanamide
CID 115659409
azane;2-(1-carboxyethyldisulfanyl)propanoic acid
CID 173332153
(2S)-2-amino-3-(1-amino-1-oxopropan-2-yl)sulfanyl-3-methylbutanoic acid
CID 106443509
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43082893
2-aminopropanamide;dihydrochloride
CID 19963402
(2S)-2-acetylsulfanylpropanoic acid
CID 10920663
2-aminopropanoic acid;2-hydroxypropanamide
CID 174928864
3-amino-2-methyl-3-oxopropanoic acid;methylphosphane
CID 174806493
2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpropanoic acid
CID 43086545
butan-2-yl thiohypochlorite;carbamic acid
CID 88674015
(2S)-2-aminopropanoic acid
CID 5950

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid?
The IUPAC name of 2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid (CID 43082896) is 2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid.
What is the SMILES notation for 2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid?
The canonical SMILES for 2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid is CC(SC(C)C(=O)O)C(N)=O.
What is the InChIKey of 2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid?
The InChIKey is XWVVWKYYDFSHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H2,7,8)(H,9,10).
What are the key properties of 2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid?
2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid has a molecular weight of 177.22 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-1-oxopropan-2-yl)sulfanylpropanoic acid is sourced from PubChem (CID 43082896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).