2-(2-oxoethyl)pyrrolidine-1-carboxylic acid

C7H11NO3 — CID 87391824

IUPAC2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
SMILESO=CCC1CCCN1C(=O)O
InChIInChI=1S/C7H11NO3/c9-5-3-6-2-1-4-8(6)7(10)11/h5-6H,1-4H2,(H,10,11)
InChIKeyUGVOHOXBBMPRBH-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.72
Rot. Bonds2

About 2-(2-oxoethyl)pyrrolidine-1-carboxylic acid

2-(2-oxoethyl)pyrrolidine-1-carboxylic acid (PubChem CID 87391824) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(2-oxoethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
PubChem CID87391824
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
SMILESO=CCC1CCCN1C(=O)O
InChIInChI=1S/C7H11NO3/c9-5-3-6-2-1-4-8(6)7(10)11/h5-6H,1-4H2,(H,10,11)
InChIKeyUGVOHOXBBMPRBH-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
CID 175456128
2-(cyanomethyl)pyrrolidine-1-carboxylic acid
CID 22500499
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid
CID 126643714
(2S)-2-[5-(2-oxoethyl)oxolan-2-yl]pyrrolidine-1-carboxylic acid
CID 146219297
(2S)-2-(3-bromo-2-oxopropyl)piperidine-1-carboxylic acid
CID 87470345
(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane
CID 175444438
2-(2-chloroethyl)piperidine-1-carboxylic acid
CID 53441587
tert-butyl N-[1-oxo-1-[2-(2-oxoethyl)pyrrolidin-1-yl]propan-2-yl]carbamate
CID 164676087
2-nonylpiperidine-1-carboxylic acid
CID 69469776
(2S)-2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573244
2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid
CID 126509861

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2-oxoethyl)pyrrolidine-1-carboxylic acid (CID 87391824) is 2-(2-oxoethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-oxoethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2-oxoethyl)pyrrolidine-1-carboxylic acid is O=CCC1CCCN1C(=O)O.
What is the InChIKey of 2-(2-oxoethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is UGVOHOXBBMPRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-5-3-6-2-1-4-8(6)7(10)11/h5-6H,1-4H2,(H,10,11).
What are the key properties of 2-(2-oxoethyl)pyrrolidine-1-carboxylic acid?
2-(2-oxoethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 87391824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).