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

C8H13NO3 — CID 121200178

IUPAC1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
SMILESCC(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-6(10)4-9-3-2-7(5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKeyVHVCJMHAGZOVCL-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.02
Rot. Bonds3

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

1-(2-oxopropyl)pyrrolidine-3-carboxylic acid (PubChem CID 121200178) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(2-oxopropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
PubChem CID121200178
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
SMILESCC(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-6(10)4-9-3-2-7(5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKeyVHVCJMHAGZOVCL-UHFFFAOYSA-N
XLogP-0.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030679
(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid
CID 129493333
1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 22322835
1-(3-hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 22322508
1-(2-acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
(3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylic acid
CID 121473496
1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 63032240
1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904803
1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904470
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-oxopropyl)pyrrolidine-3-carboxylic acid (CID 121200178) is 1-(2-oxopropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-oxopropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-oxopropyl)pyrrolidine-3-carboxylic acid is CC(=O)CN1CCC(C(=O)O)C1.
What is the InChIKey of 1-(2-oxopropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VHVCJMHAGZOVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(10)4-9-3-2-7(5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-(2-oxopropyl)pyrrolidine-3-carboxylic acid?
1-(2-oxopropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 121200178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).