3-(2-oxoethyl)pyrrolidine-1-carboxylic acid

C7H11NO3 — CID 123542775

IUPAC3-(2-oxoethyl)pyrrolidine-1-carboxylic acid
SMILESO=CCC1CCN(C(=O)O)C1
InChIInChI=1S/C7H11NO3/c9-4-2-6-1-3-8(5-6)7(10)11/h4,6H,1-3,5H2,(H,10,11)
InChIKeyDWFRXXPTJSUQLO-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.58
Rot. Bonds2

About 3-(2-oxoethyl)pyrrolidine-1-carboxylic acid

3-(2-oxoethyl)pyrrolidine-1-carboxylic acid (PubChem CID 123542775) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(2-oxoethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxoethyl)pyrrolidine-1-carboxylic acid
PubChem CID123542775
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(2-oxoethyl)pyrrolidine-1-carboxylic acid
SMILESO=CCC1CCN(C(=O)O)C1
InChIInChI=1S/C7H11NO3/c9-4-2-6-1-3-8(5-6)7(10)11/h4,6H,1-3,5H2,(H,10,11)
InChIKeyDWFRXXPTJSUQLO-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
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

2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde
CID 178167886
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
CID 89158882
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
3-(2-acetyl-3-oxobutyl)pyrrolidine-1-carboxylic acid
CID 172776765
4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid
CID 87209791
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde
CID 89354999
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
acetic acid;3-(2-amino-2-iminoethyl)pyrrolidine-1-carboxylic acid
CID 67155673
3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573235
4-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid
CID 141094505

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(2-oxoethyl)pyrrolidine-1-carboxylic acid (CID 123542775) is 3-(2-oxoethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-oxoethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(2-oxoethyl)pyrrolidine-1-carboxylic acid is O=CCC1CCN(C(=O)O)C1.
What is the InChIKey of 3-(2-oxoethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is DWFRXXPTJSUQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-4-2-6-1-3-8(5-6)7(10)11/h4,6H,1-3,5H2,(H,10,11).
What are the key properties of 3-(2-oxoethyl)pyrrolidine-1-carboxylic acid?
3-(2-oxoethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 123542775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).