3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid

C7H11NO3S — CID 19993836

IUPAC3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid
SMILESO=C(O)CCSC1CCNC1=O
InChIInChI=1S/C7H11NO3S/c9-6(10)2-4-12-5-1-3-8-7(5)11/h5H,1-4H2,(H,8,11)(H,9,10)
InChIKeyAXXVCMHNSLLRMQ-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.08
Rot. Bonds4

About 3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid

3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid (PubChem CID 19993836) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid
PubChem CID19993836
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid
SMILESO=C(O)CCSC1CCNC1=O
InChIInChI=1S/C7H11NO3S/c9-6(10)2-4-12-5-1-3-8-7(5)11/h5H,1-4H2,(H,8,11)(H,9,10)
InChIKeyAXXVCMHNSLLRMQ-UHFFFAOYSA-N
XLogP0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid?
The IUPAC name of 3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid (CID 19993836) is 3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid.
What is the SMILES notation for 3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid?
The canonical SMILES for 3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid is O=C(O)CCSC1CCNC1=O.
What is the InChIKey of 3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid?
The InChIKey is AXXVCMHNSLLRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c9-6(10)2-4-12-5-1-3-8-7(5)11/h5H,1-4H2,(H,8,11)(H,9,10).
What are the key properties of 3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid?
3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid has a molecular weight of 189.24 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-3-yl)sulfanylpropanoic acid is sourced from PubChem (CID 19993836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).