3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid

C11H17NO3 — CID 105359808

IUPAC3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1(CC2CCC2)CC(=O)NC1C(=O)O
InChIInChI=1S/C11H17NO3/c1-11(5-7-3-2-4-7)6-8(13)12-9(11)10(14)15/h7,9H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyVCARIWYZUNWXTE-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.16
Rot. Bonds3

About 3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid

3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 105359808) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID105359808
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1(CC2CCC2)CC(=O)NC1C(=O)O
InChIInChI=1S/C11H17NO3/c1-11(5-7-3-2-4-7)6-8(13)12-9(11)10(14)15/h7,9H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyVCARIWYZUNWXTE-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid (CID 105359808) is 3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid is CC1(CC2CCC2)CC(=O)NC1C(=O)O.
What is the InChIKey of 3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is VCARIWYZUNWXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(5-7-3-2-4-7)6-8(13)12-9(11)10(14)15/h7,9H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105359808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).