4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid

C14H20N2O2 — CID 64693583

IUPAC4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid
SMILESNCCC(C(=O)O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c15-8-6-13(14(17)18)16-9-7-12(10-16)11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,17,18)
InChIKeyUPCLGSLFUSUSAK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds5

About 4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid

4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid (PubChem CID 64693583) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid
PubChem CID64693583
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid
SMILESNCCC(C(=O)O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c15-8-6-13(14(17)18)16-9-7-12(10-16)11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,17,18)
InChIKeyUPCLGSLFUSUSAK-UHFFFAOYSA-N
XLogP1.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
methyl (2S)-2-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 52534456
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
4-phenyl-2-(3-pyrimidin-2-ylpyrrolidin-1-yl)butanoic acid
CID 154872176
1-methyl-4-phenylpiperidine;(2R)-2-phenyl-2-(3-phenylpyrrolidin-1-yl)acetic acid
CID 142020821
3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
3-cyclobutyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid;4-(3,3-difluoro-3-phenylpropyl)-1-methylpiperidine
CID 142021125
3-cyclobutyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid;1-(1-methylpiperidin-4-yl)-3-phenylpropan-1-ol
CID 142021357
(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851383
2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
CID 142021655

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid (CID 64693583) is 4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid is NCCC(C(=O)O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid?
The InChIKey is UPCLGSLFUSUSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-8-6-13(14(17)18)16-9-7-12(10-16)11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,17,18).
What are the key properties of 4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid?
4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid has a molecular weight of 248.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 64693583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).