(2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid

C14H20N2O2 — CID 177277385

IUPAC(2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid
SMILESN[C@@H](Cc1cccc(C2CCNCC2)c1)C(=O)O
InChIInChI=1S/C14H20N2O2/c15-13(14(17)18)9-10-2-1-3-12(8-10)11-4-6-16-7-5-11/h1-3,8,11,13,16H,4-7,9,15H2,(H,17,18)/t13-/m0/s1
InChIKeyQDQIFAVTYIQLMH-ZDUSSCGKSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds4

About (2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid

(2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid (PubChem CID 177277385) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid
PubChem CID177277385
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid
SMILESN[C@@H](Cc1cccc(C2CCNCC2)c1)C(=O)O
InChIInChI=1S/C14H20N2O2/c15-13(14(17)18)9-10-2-1-3-12(8-10)11-4-6-16-7-5-11/h1-3,8,11,13,16H,4-7,9,15H2,(H,17,18)/t13-/m0/s1
InChIKeyQDQIFAVTYIQLMH-ZDUSSCGKSA-N
XLogP1.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-(3-piperidin-4-ylphenyl)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

(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride
CID 20637685
2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid
CID 69415447
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
methyl 3-(3-piperidin-4-ylphenyl)propanoate
CID 116988945
(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
CID 68534657
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine
CID 84703850
piperidin-4-yl (2R)-2-amino-3-phenylpropanoate
CID 173188794

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid (CID 177277385) is (2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid is N[C@@H](Cc1cccc(C2CCNCC2)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid?
The InChIKey is QDQIFAVTYIQLMH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13(14(17)18)9-10-2-1-3-12(8-10)11-4-6-16-7-5-11/h1-3,8,11,13,16H,4-7,9,15H2,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid?
(2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid has a molecular weight of 248.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid is sourced from PubChem (CID 177277385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).