1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid

C14H24N2O3 — CID 106979055

IUPAC1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CC(=O)N1CCCC1
InChIInChI=1S/C14H24N2O3/c1-2-6-14(13(18)19)7-5-10-16(14)11-12(17)15-8-3-4-9-15/h2-11H2,1H3,(H,18,19)
InChIKeyHNPCOASKIXYQIT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.33
Rot. Bonds5

About 1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid

1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106979055) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106979055
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CC(=O)N1CCCC1
InChIInChI=1S/C14H24N2O3/c1-2-6-14(13(18)19)7-5-10-16(14)11-12(17)15-8-3-4-9-15/h2-11H2,1H3,(H,18,19)
InChIKeyHNPCOASKIXYQIT-UHFFFAOYSA-N
XLogP1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-oxoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978992
1-(2,3-dichloroprop-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978685
1-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978783
1-(3-chloro-2-methylprop-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106439339
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979113
1-(2-ethylsulfanylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979017
1-(3-methylbut-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978657
1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011
1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978791
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064696
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978794
1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978777

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106979055) is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1CC(=O)N1CCCC1.
What is the InChIKey of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is HNPCOASKIXYQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-6-14(13(18)19)7-5-10-16(14)11-12(17)15-8-3-4-9-15/h2-11H2,1H3,(H,18,19).
What are the key properties of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106979055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).