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

C10H17NO2 — CID 63147684

IUPAC3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid
SMILESC=C(C)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-8(2)6-11-5-4-10(3,7-11)9(12)13/h1,4-7H2,2-3H3,(H,12,13)
InChIKeyOWVHGZITJSMPTG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds3

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

3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid (PubChem CID 63147684) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid
PubChem CID63147684
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid
SMILESC=C(C)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-8(2)6-11-5-4-10(3,7-11)9(12)13/h1,4-7H2,2-3H3,(H,12,13)
InChIKeyOWVHGZITJSMPTG-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147801
1-[2-[di(propan-2-yl)amino]-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63148071
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137029
3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566531
1-(2-ethylbutyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65064170
3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148953
1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 55165123
1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid
CID 63126976
3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid
CID 104808762
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
1-[2-(diethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125037

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid (CID 63147684) is 3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid is C=C(C)CN1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OWVHGZITJSMPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)6-11-5-4-10(3,7-11)9(12)13/h1,4-7H2,2-3H3,(H,12,13).
What are the key properties of 3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).