3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid

C7H14N2O6S — CID 61206300

IUPAC3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid
SMILESCS(=O)(=O)CCNC(=O)NC(CO)C(=O)O
InChIInChI=1S/C7H14N2O6S/c1-16(14,15)3-2-8-7(13)9-5(4-10)6(11)12/h5,10H,2-4H2,1H3,(H,11,12)(H2,8,9,13)
InChIKeyGGVYZLRGMGFEGJ-UHFFFAOYSA-N
MW254.26 g/mol
LogP-2.22
Rot. Bonds6

About 3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid

3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid (PubChem CID 61206300) has the molecular formula C7H14N2O6S and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid
PubChem CID61206300
Molecular FormulaC7H14N2O6S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid
SMILESCS(=O)(=O)CCNC(=O)NC(CO)C(=O)O
InChIInChI=1S/C7H14N2O6S/c1-16(14,15)3-2-8-7(13)9-5(4-10)6(11)12/h5,10H,2-4H2,1H3,(H,11,12)(H2,8,9,13)
InChIKeyGGVYZLRGMGFEGJ-UHFFFAOYSA-N
XLogP-2.22
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)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

(2S)-4-methoxy-2-(2-methylsulfonylethylcarbamoylamino)-4-oxobutanoic acid
CID 55205376
3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
CID 61202621
(2R)-4-hydroxy-2-(3-methylsulfonylpropylcarbamoylamino)butanoic acid
CID 107827205
5-methoxy-2-(2-methylsulfonylethylcarbamoylamino)pentanoic acid
CID 81085605
2-[2-(methylsulfamoyl)ethylcarbamoylamino]-4-methylsulfonylbutanoic acid
CID 106340544
(2S)-3-hydroxy-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 61185829
3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 113410923
1-[(2S)-butan-2-yl]-3-(2-methylsulfonylethyl)urea
CID 94941483
(2R)-2-[3-(dimethylamino)propylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757649
(2S)-2-[3-(dimethylamino)propylcarbamoylamino]-3-hydroxypropanoic acid
CID 61190739
(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 107826259
(2R)-4-methylsulfanyl-2-(3-methylsulfonylpropylcarbamoylamino)butanoic acid
CID 104910172

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid (CID 61206300) is 3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid is CS(=O)(=O)CCNC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid?
The InChIKey is GGVYZLRGMGFEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O6S/c1-16(14,15)3-2-8-7(13)9-5(4-10)6(11)12/h5,10H,2-4H2,1H3,(H,11,12)(H2,8,9,13).
What are the key properties of 3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid?
3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid has a molecular weight of 254.26 g/mol, XLogP of -2.22, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 61206300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).