1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid

C12H19NO4 — CID 116522331

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1(C)CCC(CN2C(=O)CCC2C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-12(2)6-5-8(17-12)7-13-9(11(15)16)3-4-10(13)14/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyBBZSQLQSQLUCRV-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.02
Rot. Bonds3

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid

1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 116522331) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID116522331
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1(C)CCC(CN2C(=O)CCC2C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-12(2)6-5-8(17-12)7-13-9(11(15)16)3-4-10(13)14/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyBBZSQLQSQLUCRV-UHFFFAOYSA-N
XLogP1.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CID 116522331) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid is CC1(C)CCC(CN2C(=O)CCC2C(=O)O)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is BBZSQLQSQLUCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2)6-5-8(17-12)7-13-9(11(15)16)3-4-10(13)14/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 116522331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).