2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid

C15H21NO2 — CID 125146477

IUPAC2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid
SMILESC[C@]1(CCc2ccccc2)CCN(CC(=O)O)C1
InChIInChI=1S/C15H21NO2/c1-15(8-7-13-5-3-2-4-6-13)9-10-16(12-15)11-14(17)18/h2-6H,7-12H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyKHEHRKXNWGWAAT-HNNXBMFYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds5

About 2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid

2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid (PubChem CID 125146477) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid
PubChem CID125146477
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid
SMILESC[C@]1(CCc2ccccc2)CCN(CC(=O)O)C1
InChIInChI=1S/C15H21NO2/c1-15(8-7-13-5-3-2-4-6-13)9-10-16(12-15)11-14(17)18/h2-6H,7-12H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyKHEHRKXNWGWAAT-HNNXBMFYSA-N
XLogP2.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-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

(2R)-2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119339754
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821
2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one
CID 119339757
4-(methylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119811823
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119811815
5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide
CID 166278646
2-(cyclopropylmethylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811839
2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119811853
1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen
CID 143853919
[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119339735

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid (CID 125146477) is 2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid is C[C@]1(CCc2ccccc2)CCN(CC(=O)O)C1.
What is the InChIKey of 2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is KHEHRKXNWGWAAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(8-7-13-5-3-2-4-6-13)9-10-16(12-15)11-14(17)18/h2-6H,7-12H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid?
2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 125146477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).