(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid

C15H22N2O2 — CID 131872358

IUPAC(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
SMILESN[C@@H](CC(=O)O)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O2/c16-13(11-15(18)19)10-12-4-6-14(7-5-12)17-8-2-1-3-9-17/h4-7,13H,1-3,8-11,16H2,(H,18,19)/t13-/m1/s1
InChIKeyXVYLGUVUJHDAJI-CYBMUJFWSA-N
MW262.35 g/mol
LogP2.02
Rot. Bonds5

About (3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid

(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid (PubChem CID 131872358) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
PubChem CID131872358
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
SMILESN[C@@H](CC(=O)O)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O2/c16-13(11-15(18)19)10-12-4-6-14(7-5-12)17-8-2-1-3-9-17/h4-7,13H,1-3,8-11,16H2,(H,18,19)/t13-/m1/s1
InChIKeyXVYLGUVUJHDAJI-CYBMUJFWSA-N
XLogP2.02
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid
CID 131873298
(3R)-3-amino-4-(4-thiomorpholin-4-ylphenyl)butanoic acid
CID 131872356
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 82160408
benzyl 2-hydroxy-3-(4-piperidin-1-ylphenyl)propanoate
CID 57026029
1-(4-piperidin-1-ylphenyl)butan-2-ol
CID 82160958
2-(4-pyrrolidin-1-ylphenyl)butanedioic acid
CID 168515530
4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 117410844
2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 83953409
ethyl 3-oxo-2-[(4-piperidin-1-ylphenyl)methyl]butanoate
CID 23009575
1-[(4-piperidin-1-ylphenyl)methyl]-3-propan-2-ylurea
CID 47278796

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid?
The IUPAC name of (3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid (CID 131872358) is (3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid.
What is the SMILES notation for (3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid?
The canonical SMILES for (3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid is N[C@@H](CC(=O)O)Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of (3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid?
The InChIKey is XVYLGUVUJHDAJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-13(11-15(18)19)10-12-4-6-14(7-5-12)17-8-2-1-3-9-17/h4-7,13H,1-3,8-11,16H2,(H,18,19)/t13-/m1/s1.
What are the key properties of (3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid?
(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid is sourced from PubChem (CID 131872358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).