1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid

C8H11NO3S — CID 168709235

IUPAC1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C1CC(S)CN1C1(C(=O)O)CC1
InChIInChI=1S/C8H11NO3S/c10-6-3-5(13)4-9(6)8(1-2-8)7(11)12/h5,13H,1-4H2,(H,11,12)
InChIKeyZGFVHCBTUXUHQD-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.13
Rot. Bonds2

About 1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid

1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid (PubChem CID 168709235) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid
PubChem CID168709235
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C1CC(S)CN1C1(C(=O)O)CC1
InChIInChI=1S/C8H11NO3S/c10-6-3-5(13)4-9(6)8(1-2-8)7(11)12/h5,13H,1-4H2,(H,11,12)
InChIKeyZGFVHCBTUXUHQD-UHFFFAOYSA-N
XLogP0.13
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopropane-1-carboxylic acid
CID 168662970
1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid
CID 168714744
1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691308
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
CID 168662973
4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid
CID 168714750
1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
CID 168657093
(2S)-2-hydroxy-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)propanoic acid
CID 168707868
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 168661891
5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 170305343
4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 168692885
7-(2-oxo-4-sulfanylpyrrolidin-1-yl)heptanoic acid
CID 168709291
3,6-dioxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid
CID 170451238

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid (CID 168709235) is 1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid is O=C1CC(S)CN1C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid?
The InChIKey is ZGFVHCBTUXUHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c10-6-3-5(13)4-9(6)8(1-2-8)7(11)12/h5,13H,1-4H2,(H,11,12).
What are the key properties of 1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid?
1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid has a molecular weight of 201.25 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 168709235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).