2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid

C7H14N2O4S — CID 70945671

IUPAC2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid
SMILESNC(CS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C7H14N2O4S/c8-6(7(10)11)5-14(12,13)9-3-1-2-4-9/h6H,1-5,8H2,(H,10,11)
InChIKeySAHOLOIOAKLROW-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.18
Rot. Bonds4

About 2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid

2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid (PubChem CID 70945671) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid
PubChem CID70945671
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid
SMILESNC(CS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C7H14N2O4S/c8-6(7(10)11)5-14(12,13)9-3-1-2-4-9/h6H,1-5,8H2,(H,10,11)
InChIKeySAHOLOIOAKLROW-UHFFFAOYSA-N
XLogP-1.18
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid?
The IUPAC name of 2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid (CID 70945671) is 2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid.
What is the SMILES notation for 2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid?
The canonical SMILES for 2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid is NC(CS(=O)(=O)N1CCCC1)C(=O)O.
What is the InChIKey of 2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid?
The InChIKey is SAHOLOIOAKLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c8-6(7(10)11)5-14(12,13)9-3-1-2-4-9/h6H,1-5,8H2,(H,10,11).
What are the key properties of 2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid?
2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid has a molecular weight of 222.27 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid is sourced from PubChem (CID 70945671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).