(2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid

C15H14NO4- — CID 163124301

IUPAC(2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccc(N([O-])O)cc1)c1ccccc1
InChIInChI=1S/C15H14NO4/c17-15(18)14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)16(19)20/h1-9,14,19H,10H2,(H,17,18)/q-1/t14-/m1/s1
InChIKeyJTVKHUFLZNRVJN-CQSZACIVSA-N
MW272.28 g/mol
LogP2.79
Rot. Bonds5

About (2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid

(2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid (PubChem CID 163124301) has the molecular formula C15H14NO4- and a molecular weight of 272.28 g/mol. Its IUPAC name is (2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid
PubChem CID163124301
Molecular FormulaC15H14NO4-
Molecular Weight272.28 g/mol
Exact Mass272.09
IUPAC Name(2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccc(N([O-])O)cc1)c1ccccc1
InChIInChI=1S/C15H14NO4/c17-15(18)14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)16(19)20/h1-9,14,19H,10H2,(H,17,18)/q-1/t14-/m1/s1
InChIKeyJTVKHUFLZNRVJN-CQSZACIVSA-N
XLogP2.79
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,3-diphenylpropanoic acid
CID 737125
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
4-[(2S)-2-carboxy-2-phenylethyl]-N-hydroxybenzeneamine oxide
CID 163124302
3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanenitrile
CID 163164703
(2S)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanenitrile
CID 163164705
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
(2S)-2,3-diphenylpropanoate
CID 6993748
3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid
CID 83955823
3-[4-(4-bromophenoxy)phenyl]-2-phenylpropanoic acid
CID 20984736
3-[4-[[methyl(3-phenylpropanoyl)amino]methyl]phenyl]-2-phenylpropanoic acid
CID 23176557

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid?
The IUPAC name of (2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid (CID 163124301) is (2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid?
The canonical SMILES for (2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid is O=C(O)[C@H](Cc1ccc(N([O-])O)cc1)c1ccccc1.
What is the InChIKey of (2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid?
The InChIKey is JTVKHUFLZNRVJN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14NO4/c17-15(18)14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)16(19)20/h1-9,14,19H,10H2,(H,17,18)/q-1/t14-/m1/s1.
What are the key properties of (2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid?
(2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid has a molecular weight of 272.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid is sourced from PubChem (CID 163124301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).