3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid

C13H18N2O2 — CID 107321179

IUPAC3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
SMILESCC(c1ccccc1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-10(11-5-3-2-4-6-11)15-8-7-13(14,9-15)12(16)17/h2-6,10H,7-9,14H2,1H3,(H,16,17)
InChIKeyNECOZBVTEFUGAQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid

3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 107321179) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
PubChem CID107321179
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
SMILESCC(c1ccccc1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-10(11-5-3-2-4-6-11)15-8-7-13(14,9-15)12(16)17/h2-6,10H,7-9,14H2,1H3,(H,16,17)
InChIKeyNECOZBVTEFUGAQ-UHFFFAOYSA-N
XLogP1.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(1-phenylethyl)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

3-amino-1-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 107321305
3-amino-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 107321211
5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
CID 142625115
3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107324285
4-cyano-1-(1-phenylethyl)piperidine-4-carboxylic acid
CID 117008017
methyl 3-fluoro-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 169407977
methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 97184677
3-methyl-1-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064030
3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid
CID 107321237
3-amino-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107321343
1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 119879171
3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid
CID 107321408

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid (CID 107321179) is 3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid is CC(c1ccccc1)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NECOZBVTEFUGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(11-5-3-2-4-6-11)15-8-7-13(14,9-15)12(16)17/h2-6,10H,7-9,14H2,1H3,(H,16,17).
What are the key properties of 3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107321179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).