2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid

C7H13NO3S — CID 58348259

IUPAC2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid
SMILESCC(C)([C@H]1CNC(=O)C1)S(=O)O
InChIInChI=1S/C7H13NO3S/c1-7(2,12(10)11)5-3-6(9)8-4-5/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKeyQIVPNTFWKDQGAD-RXMQYKEDSA-N
MW191.25 g/mol
LogP0.12
Rot. Bonds2

About 2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid

2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid (PubChem CID 58348259) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid.

Molecular Properties

Compound Name2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid
PubChem CID58348259
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid
SMILESCC(C)([C@H]1CNC(=O)C1)S(=O)O
InChIInChI=1S/C7H13NO3S/c1-7(2,12(10)11)5-3-6(9)8-4-5/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKeyQIVPNTFWKDQGAD-RXMQYKEDSA-N
XLogP0.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one
CID 68860706
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
CID 124575955
N-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 78981963
4-hydroxypyrrolidin-2-one;propane
CID 169229949
(5R)-4,5-dimethylpiperidin-2-one
CID 55298895
(4S,5R)-4,5-dihydroxypiperidin-2-one
CID 57413174
CID 66603050
CID 66603050
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
acetic acid;4-hydroxypyrrolidin-2-one
CID 67821744
4-(2-bromoacetyl)pyrrolidin-2-one
CID 56845216
(2R)-2,7-dimethyl-1,4-diazepan-5-one
CID 55300700
(4R,6R)-4,6-dimethylazepan-2-one
CID 12689794

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid?
The IUPAC name of 2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid (CID 58348259) is 2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid.
What is the SMILES notation for 2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid?
The canonical SMILES for 2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid is CC(C)([C@H]1CNC(=O)C1)S(=O)O.
What is the InChIKey of 2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid?
The InChIKey is QIVPNTFWKDQGAD-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-7(2,12(10)11)5-3-6(9)8-4-5/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1.
What are the key properties of 2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid?
2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid has a molecular weight of 191.25 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid is sourced from PubChem (CID 58348259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).