3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid

C14H20N2O2 — CID 117374279

IUPAC3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid
SMILESNC(CC(=O)O)c1ccccc1N1CCCCC1
InChIInChI=1S/C14H20N2O2/c15-12(10-14(17)18)11-6-2-3-7-13(11)16-8-4-1-5-9-16/h2-3,6-7,12H,1,4-5,8-10,15H2,(H,17,18)
InChIKeyODIFQKFEKZXTFY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.15
Rot. Bonds4

About 3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid

3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid (PubChem CID 117374279) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid
PubChem CID117374279
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid
SMILESNC(CC(=O)O)c1ccccc1N1CCCCC1
InChIInChI=1S/C14H20N2O2/c15-12(10-14(17)18)11-6-2-3-7-13(11)16-8-4-1-5-9-16/h2-3,6-7,12H,1,4-5,8-10,15H2,(H,17,18)
InChIKeyODIFQKFEKZXTFY-UHFFFAOYSA-N
XLogP2.15
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117413219
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
3-phenyl-3-(2-piperidin-1-ylphenyl)propanamide
CID 140821391
ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate
CID 54107897
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
(1R)-1-(2-piperidin-1-ylphenyl)pentan-1-amine
CID 129363410
(1R)-2-cyclopentyl-1-(2-piperidin-1-ylphenyl)ethanamine
CID 129363780
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
3-(2-pyrrolidin-1-ylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoic acid
CID 170815668
(4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid
CID 67452418
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid (CID 117374279) is 3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid is NC(CC(=O)O)c1ccccc1N1CCCCC1.
What is the InChIKey of 3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid?
The InChIKey is ODIFQKFEKZXTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12(10-14(17)18)11-6-2-3-7-13(11)16-8-4-1-5-9-16/h2-3,6-7,12H,1,4-5,8-10,15H2,(H,17,18).
What are the key properties of 3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid?
3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid is sourced from PubChem (CID 117374279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).