2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid

C7H14N2O6S — CID 66168148

IUPAC2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H14N2O6S/c10-6(7(11)12)5-8-16(13,14)9-1-3-15-4-2-9/h6,8,10H,1-5H2,(H,11,12)
InChIKeyCAPRBKTXRIRUPC-UHFFFAOYSA-N
MW254.26 g/mol
LogP-2.40
Rot. Bonds5

About 2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid

2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid (PubChem CID 66168148) has the molecular formula C7H14N2O6S and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid
PubChem CID66168148
Molecular FormulaC7H14N2O6S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H14N2O6S/c10-6(7(11)12)5-8-16(13,14)9-1-3-15-4-2-9/h6,8,10H,1-5H2,(H,11,12)
InChIKeyCAPRBKTXRIRUPC-UHFFFAOYSA-N
XLogP-2.40
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-2.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-3-(morpholin-4-ylsulfonylamino)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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid (CID 66168148) is 2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid is O=C(O)C(O)CNS(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid?
The InChIKey is CAPRBKTXRIRUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O6S/c10-6(7(11)12)5-8-16(13,14)9-1-3-15-4-2-9/h6,8,10H,1-5H2,(H,11,12).
What are the key properties of 2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid?
2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid has a molecular weight of 254.26 g/mol, XLogP of -2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 66168148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).