1-phenylethyl (2R)-2-amino-3-phenylpropanoate

C17H19NO2 — CID 104902256

IUPAC1-phenylethyl (2R)-2-amino-3-phenylpropanoate
SMILESCC(OC(=O)[C@H](N)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(15-10-6-3-7-11-15)20-17(19)16(18)12-14-8-4-2-5-9-14/h2-11,13,16H,12,18H2,1H3/t13?,16-/m1/s1
InChIKeyRQQREVRWNNBEAZ-FQNRMIAFSA-N
MW269.34 g/mol
LogP2.86
Rot. Bonds5

About 1-phenylethyl (2R)-2-amino-3-phenylpropanoate

1-phenylethyl (2R)-2-amino-3-phenylpropanoate (PubChem CID 104902256) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-phenylethyl (2R)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name1-phenylethyl (2R)-2-amino-3-phenylpropanoate
PubChem CID104902256
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-phenylethyl (2R)-2-amino-3-phenylpropanoate
SMILESCC(OC(=O)[C@H](N)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(15-10-6-3-7-11-15)20-17(19)16(18)12-14-8-4-2-5-9-14/h2-11,13,16H,12,18H2,1H3/t13?,16-/m1/s1
InChIKeyRQQREVRWNNBEAZ-FQNRMIAFSA-N
XLogP2.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-phenylethyl] 2-aminobutanoate
CID 175076698
1-phenylethyl 3-phenyl-2-sulfanylpropanoate
CID 107018416
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659
1-phenylethyl (2S)-2-amino-3-(2-methylphenyl)propanoate
CID 57253473
4-methylpentan-2-yl (2S)-2-amino-3-phenylpropanoate
CID 61279025
2-[(2S)-2-amino-3-phenylpropanoyl]oxy-2-phenylacetic acid
CID 122589190
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
3-(2-amino-3-phenylpropanoyl)oxy-2-oxo-3-phenylpropanoic acid
CID 141289987
[(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate
CID 130211088
1-phenylethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 61279257
dichloromethyl (2S)-2-amino-3-phenylpropanoate
CID 174842836
[2-[(2S)-2-amino-3-phenylpropanoyl]oxy-2-phenylacetyl] 3-methylbutanoate
CID 91607863

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl (2R)-2-amino-3-phenylpropanoate?
The IUPAC name of 1-phenylethyl (2R)-2-amino-3-phenylpropanoate (CID 104902256) is 1-phenylethyl (2R)-2-amino-3-phenylpropanoate.
What is the SMILES notation for 1-phenylethyl (2R)-2-amino-3-phenylpropanoate?
The canonical SMILES for 1-phenylethyl (2R)-2-amino-3-phenylpropanoate is CC(OC(=O)[C@H](N)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylethyl (2R)-2-amino-3-phenylpropanoate?
The InChIKey is RQQREVRWNNBEAZ-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(15-10-6-3-7-11-15)20-17(19)16(18)12-14-8-4-2-5-9-14/h2-11,13,16H,12,18H2,1H3/t13?,16-/m1/s1.
What are the key properties of 1-phenylethyl (2R)-2-amino-3-phenylpropanoate?
1-phenylethyl (2R)-2-amino-3-phenylpropanoate has a molecular weight of 269.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl (2R)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 104902256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).