2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid

C5H11NO4S — CID 74324904

IUPAC2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid
SMILESNC(CS(=O)CCO)C(=O)O
InChIInChI=1S/C5H11NO4S/c6-4(5(8)9)3-11(10)2-1-7/h4,7H,1-3,6H2,(H,8,9)
InChIKeyUVUXOAGEDRREKG-UHFFFAOYSA-N
MW181.21 g/mol
LogP-1.86
Rot. Bonds5

About 2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid

2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid (PubChem CID 74324904) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid
PubChem CID74324904
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid
SMILESNC(CS(=O)CCO)C(=O)O
InChIInChI=1S/C5H11NO4S/c6-4(5(8)9)3-11(10)2-1-7/h4,7H,1-3,6H2,(H,8,9)
InChIKeyUVUXOAGEDRREKG-UHFFFAOYSA-N
XLogP-1.86
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(2-hydroxyethylsulfinyl)propanoic 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

2-amino-3-(3-hydroxypropylsulfinyl)propanoic acid
CID 74324894
(2R)-2-amino-3-but-3-ynylsulfinylpropanoic acid
CID 132508502
(2R)-2-amino-3-but-3-enylsulfinylpropanoic acid
CID 132934359
2-amino-3-pentylsulfinylpropanoic acid
CID 103846087
2-(2-hydroxyethylsulfinyl)ethanol
CID 18330
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
(4S)-4-amino-5-hydroxy-5-oxopentane-1-sulfinate
CID 174658815
CID 157089134
CID 157089134
2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid
CID 6122729
2-[(2R)-2-amino-2-carboxyethyl]sulfinylbutanoic acid
CID 153344560
2-amino-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 65475968
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid (CID 74324904) is 2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid is NC(CS(=O)CCO)C(=O)O.
What is the InChIKey of 2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid?
The InChIKey is UVUXOAGEDRREKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c6-4(5(8)9)3-11(10)2-1-7/h4,7H,1-3,6H2,(H,8,9).
What are the key properties of 2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid?
2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid has a molecular weight of 181.21 g/mol, XLogP of -1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid is sourced from PubChem (CID 74324904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).