2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid

C7H14N2O5S — CID 66167094

IUPAC2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H14N2O5S/c10-6(7(11)12)5-8-15(13,14)9-3-1-2-4-9/h6,8,10H,1-5H2,(H,11,12)
InChIKeyXWZDWASAXZVYLO-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.64
Rot. Bonds5

About 2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid

2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid (PubChem CID 66167094) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
PubChem CID66167094
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H14N2O5S/c10-6(7(11)12)5-8-15(13,14)9-3-1-2-4-9/h6,8,10H,1-5H2,(H,11,12)
InChIKeyXWZDWASAXZVYLO-UHFFFAOYSA-N
XLogP-1.64
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid (CID 66167094) is 2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid is O=C(O)C(O)CNS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
The InChIKey is XWZDWASAXZVYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c10-6(7(11)12)5-8-15(13,14)9-3-1-2-4-9/h6,8,10H,1-5H2,(H,11,12).
What are the key properties of 2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid has a molecular weight of 238.26 g/mol, XLogP of -1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 66167094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).