(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid

C15H15NO3 — CID 124549291

IUPAC(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid
SMILESNc1ccc([C@@H](Cc2cccc(O)c2)C(=O)O)cc1
InChIInChI=1S/C15H15NO3/c16-12-6-4-11(5-7-12)14(15(18)19)9-10-2-1-3-13(17)8-10/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m1/s1
InChIKeyRBSPVBKMOVMICD-CQSZACIVSA-N
MW257.29 g/mol
LogP2.39
Rot. Bonds4

About (2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid

(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid (PubChem CID 124549291) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid
PubChem CID124549291
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid
SMILESNc1ccc([C@@H](Cc2cccc(O)c2)C(=O)O)cc1
InChIInChI=1S/C15H15NO3/c16-12-6-4-11(5-7-12)14(15(18)19)9-10-2-1-3-13(17)8-10/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m1/s1
InChIKeyRBSPVBKMOVMICD-CQSZACIVSA-N
XLogP2.39
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride
CID 70614947
3-[2-(4-aminophenyl)propyl]phenol
CID 70385210
3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956089
2-(4-aminophenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951463
(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid
CID 39346452
2-(4-aminophenyl)-3-phenylpropanamide
CID 82020975
(2S)-2,3-diphenylpropanoic acid
CID 737125
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
2-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid
CID 83955719
2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one
CID 88838543
(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
CID 90059046

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid (CID 124549291) is (2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid is Nc1ccc([C@@H](Cc2cccc(O)c2)C(=O)O)cc1.
What is the InChIKey of (2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid?
The InChIKey is RBSPVBKMOVMICD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15NO3/c16-12-6-4-11(5-7-12)14(15(18)19)9-10-2-1-3-13(17)8-10/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid?
(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 124549291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).