3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate

C12H21NO3 — CID 123583092

IUPAC3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCN1CCCC1=O
InChIInChI=1S/C12H21NO3/c1-12(2,3)11(15)16-9-5-8-13-7-4-6-10(13)14/h4-9H2,1-3H3
InChIKeyWQQBGLSLGDYUBK-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.59
Rot. Bonds4

About 3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate

3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate (PubChem CID 123583092) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
PubChem CID123583092
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCN1CCCC1=O
InChIInChI=1S/C12H21NO3/c1-12(2,3)11(15)16-9-5-8-13-7-4-6-10(13)14/h4-9H2,1-3H3
InChIKeyWQQBGLSLGDYUBK-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
2-(2-oxopyrrolidin-1-yl)ethyl 2-chloro-2-methylbutanoate
CID 175623661
[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride
CID 139633052
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate
CID 70824820
2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate
CID 130382780
2-[3-(2-oxopyrrolidin-1-yl)propoxy]ethyl 2-methylprop-2-enoate
CID 139715962
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-dodecylpyrrolidin-2-one
CID 70222371

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate (CID 123583092) is 3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCCN1CCCC1=O.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate?
The InChIKey is WQQBGLSLGDYUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)11(15)16-9-5-8-13-7-4-6-10(13)14/h4-9H2,1-3H3.
What are the key properties of 3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate?
3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate has a molecular weight of 227.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate is sourced from PubChem (CID 123583092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).