3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid

C11H19NO2 — CID 63147685

IUPAC3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)=CCN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-9(2)4-6-12-7-5-11(3,8-12)10(13)14/h4H,5-8H2,1-3H3,(H,13,14)
InChIKeyHLPBMMMYRWRNBU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds3

About 3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid (PubChem CID 63147685) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid
PubChem CID63147685
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)=CCN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-9(2)4-6-12-7-5-11(3,8-12)10(13)14/h4H,5-8H2,1-3H3,(H,13,14)
InChIKeyHLPBMMMYRWRNBU-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid (CID 63147685) is 3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid is CC(C)=CCN1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HLPBMMMYRWRNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)4-6-12-7-5-11(3,8-12)10(13)14/h4H,5-8H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbut-2-enyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).