2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid

C14H19NO2 — CID 114997894

IUPAC2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-14(2,13(16)17)15-9-8-12(10-15)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,16,17)
InChIKeyOLHDITZAIHQBKW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.34
Rot. Bonds3

About 2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid

2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid (PubChem CID 114997894) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid
PubChem CID114997894
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-14(2,13(16)17)15-9-8-12(10-15)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,16,17)
InChIKeyOLHDITZAIHQBKW-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic 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

2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid
CID 62272328
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
N-(2,2-dimethylpropyl)-2-methyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 169180328
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 110024551
tert-butyl 3-phenylpyrrolidine-1-carboxylate;ethane;3-phenylpyrrolidine
CID 158730195
2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid
CID 64702739

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid (CID 114997894) is 2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid is CC(C)(C(=O)O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid?
The InChIKey is OLHDITZAIHQBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,13(16)17)15-9-8-12(10-15)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid?
2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 114997894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).