1-phenylethyl 3-amino-2-hydroxypropanoate

C11H15NO3 — CID 66164983

IUPAC1-phenylethyl 3-amino-2-hydroxypropanoate
SMILESCC(OC(=O)C(O)CN)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-8(9-5-3-2-4-6-9)15-11(14)10(13)7-12/h2-6,8,10,13H,7,12H2,1H3
InChIKeyVDDVMVXCYIBECI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.61
Rot. Bonds4

About 1-phenylethyl 3-amino-2-hydroxypropanoate

1-phenylethyl 3-amino-2-hydroxypropanoate (PubChem CID 66164983) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-phenylethyl 3-amino-2-hydroxypropanoate.

Molecular Properties

Compound Name1-phenylethyl 3-amino-2-hydroxypropanoate
PubChem CID66164983
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name1-phenylethyl 3-amino-2-hydroxypropanoate
SMILESCC(OC(=O)C(O)CN)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-8(9-5-3-2-4-6-9)15-11(14)10(13)7-12/h2-6,8,10,13H,7,12H2,1H3
InChIKeyVDDVMVXCYIBECI-UHFFFAOYSA-N
XLogP0.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
[(1S)-1-phenylethyl] N-(aminomethoxy)carbamate
CID 139568949
[(1R)-1-phenylethyl] 2-aminobutanoate
CID 175076698
[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate
CID 11962000
[(1S)-1-phenylethyl] 2-methyl-3-oxobutanoate
CID 11746142
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
1-phenylethyl (2R)-2-amino-3-phenylpropanoate
CID 104902256
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710
1-phenylethyl 3-phenyl-2-sulfanylpropanoate
CID 107018416

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 3-amino-2-hydroxypropanoate?
The IUPAC name of 1-phenylethyl 3-amino-2-hydroxypropanoate (CID 66164983) is 1-phenylethyl 3-amino-2-hydroxypropanoate.
What is the SMILES notation for 1-phenylethyl 3-amino-2-hydroxypropanoate?
The canonical SMILES for 1-phenylethyl 3-amino-2-hydroxypropanoate is CC(OC(=O)C(O)CN)c1ccccc1.
What is the InChIKey of 1-phenylethyl 3-amino-2-hydroxypropanoate?
The InChIKey is VDDVMVXCYIBECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(9-5-3-2-4-6-9)15-11(14)10(13)7-12/h2-6,8,10,13H,7,12H2,1H3.
What are the key properties of 1-phenylethyl 3-amino-2-hydroxypropanoate?
1-phenylethyl 3-amino-2-hydroxypropanoate has a molecular weight of 209.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 3-amino-2-hydroxypropanoate is sourced from PubChem (CID 66164983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).