2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid

C15H21NO2 — CID 83851242

IUPAC2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
SMILESCC1(C)C(CC(=O)O)CCN1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-15(2)13(10-14(17)18)8-9-16(15)11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,18)
InChIKeyMRKASNIWQGHYSO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.76
Rot. Bonds4

About 2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid

2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid (PubChem CID 83851242) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
PubChem CID83851242
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
SMILESCC1(C)C(CC(=O)O)CCN1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-15(2)13(10-14(17)18)8-9-16(15)11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,18)
InChIKeyMRKASNIWQGHYSO-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic 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-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
1-benzyl-3-bromo-2,2-dimethylpyrrolidine
CID 130979463
2-(1-benzyl-2,2-diphenylpyrrolidin-3-yl)acetamide
CID 57119129
2-[1-(4-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017368
CID 86042658
CID 86042658
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 117017329
2-[(2S)-1-benzylazetidin-2-yl]acetic acid
CID 118703240
(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
CID 101450566
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
2-[3,3-dimethyl-1-(2-methylphenyl)piperidin-4-yl]acetic acid
CID 117024644
2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine
CID 117017552
methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid (CID 83851242) is 2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid is CC1(C)C(CC(=O)O)CCN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid?
The InChIKey is MRKASNIWQGHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)13(10-14(17)18)8-9-16(15)11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,18).
What are the key properties of 2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid?
2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid has a molecular weight of 247.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 83851242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).