2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid

C14H20N2O3 — CID 154132194

IUPAC2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N2CCCC(O)C2)c(N)c1
InChIInChI=1S/C14H20N2O3/c1-9(14(18)19)10-4-5-13(12(15)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3,(H,18,19)
InChIKeyNMARDIPDCWDXAY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.42
Rot. Bonds3

About 2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid

2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid (PubChem CID 154132194) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid
PubChem CID154132194
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N2CCCC(O)C2)c(N)c1
InChIInChI=1S/C14H20N2O3/c1-9(14(18)19)10-4-5-13(12(15)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3,(H,18,19)
InChIKeyNMARDIPDCWDXAY-UHFFFAOYSA-N
XLogP1.42
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]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

4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid
CID 82785315
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
CID 78934869
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
CID 61434717
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
CID 78934473
2-[3-chloro-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]phenyl]propanoic acid
CID 12820634
3-amino-4-(3-carbamoylpiperidin-1-yl)benzoic acid
CID 54888911
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
1-(2-amino-5-bromophenyl)piperidin-3-ol
CID 65343065
5-amino-2-(3-hydroxypyrrolidin-1-yl)benzoic acid
CID 62943071
4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol
CID 154114930

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid?
The IUPAC name of 2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid (CID 154132194) is 2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(N2CCCC(O)C2)c(N)c1.
What is the InChIKey of 2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid?
The InChIKey is NMARDIPDCWDXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(14(18)19)10-4-5-13(12(15)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3,(H,18,19).
What are the key properties of 2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid?
2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 154132194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).