5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid

C9H13NO4 — CID 105360004

IUPAC5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid
SMILESO=C1CC(C2CCOC2)C(C(=O)O)N1
InChIInChI=1S/C9H13NO4/c11-7-3-6(5-1-2-14-4-5)8(10-7)9(12)13/h5-6,8H,1-4H2,(H,10,11)(H,12,13)
InChIKeyZVUFKNGTCMGOLY-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.39
Rot. Bonds2

About 5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid

5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid (PubChem CID 105360004) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid
PubChem CID105360004
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid
SMILESO=C1CC(C2CCOC2)C(C(=O)O)N1
InChIInChI=1S/C9H13NO4/c11-7-3-6(5-1-2-14-4-5)8(10-7)9(12)13/h5-6,8H,1-4H2,(H,10,11)(H,12,13)
InChIKeyZVUFKNGTCMGOLY-UHFFFAOYSA-N
XLogP-0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359954
(2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid
CID 55300983
3-tert-butyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359947
2-oxoimidazolidine-4,5-dicarboxylic acid
CID 19082391
(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid
CID 10979324
3-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
CID 175573058
(1R,3aS,7aS)-6-oxo-1,2,3,3a,4,5,7,7a-octahydroisoindole-1-carboxylic acid
CID 124707465
methane;(2S)-4-oxoazetidine-2-carboxylic acid
CID 143306499
4-oxoazetidine-2-carboxylic acid;hydrochloride
CID 162462480
3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione
CID 79433280
(1R,3aR,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxylic acid
CID 100658244
4-cyclobutyloxane-3-carboxylic acid
CID 84769408

Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid (CID 105360004) is 5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid is O=C1CC(C2CCOC2)C(C(=O)O)N1.
What is the InChIKey of 5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZVUFKNGTCMGOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-7-3-6(5-1-2-14-4-5)8(10-7)9(12)13/h5-6,8H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid?
5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105360004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).