(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid

C11H15NO3 — CID 70101907

IUPAC(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
SMILESO=C(O)[C@@H](CO)NCCc1ccccc1
InChIInChI=1S/C11H15NO3/c13-8-10(11(14)15)12-7-6-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m1/s1
InChIKeyLKMPKZYUNHDFMD-SNVBAGLBSA-N
MW209.25 g/mol
LogP0.26
Rot. Bonds6

About (2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid

(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid (PubChem CID 70101907) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
PubChem CID70101907
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
SMILESO=C(O)[C@@H](CO)NCCc1ccccc1
InChIInChI=1S/C11H15NO3/c13-8-10(11(14)15)12-7-6-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m1/s1
InChIKeyLKMPKZYUNHDFMD-SNVBAGLBSA-N
XLogP0.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
CID 141046981
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
CID 69016992
(2S)-2-[2-(4-tert-butylphenyl)ethylamino]-3-phenylpropanoic acid
CID 122037566
methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate
CID 15193085
2-methyl-3-(2-phenylethylamino)butanoic acid
CID 79391507
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-(2-carboxyethylamino)-4-phenylbutanoic acid
CID 70073749
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid
CID 104984630
(2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid
CID 10244952
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
2-(2-phenylethylamino)butan-1-ol
CID 17157372
N,N-dibenzyl-2-(2-phenylethylamino)butanamide
CID 164667444

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid (CID 70101907) is (2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid is O=C(O)[C@@H](CO)NCCc1ccccc1.
What is the InChIKey of (2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid?
The InChIKey is LKMPKZYUNHDFMD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO3/c13-8-10(11(14)15)12-7-6-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid?
(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid is sourced from PubChem (CID 70101907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).