1-phenylethyl (2S)-2-aminopropanoate

C11H15NO2 — CID 61279668

IUPAC1-phenylethyl (2S)-2-aminopropanoate
SMILESCC(OC(=O)[C@H](C)N)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(12)11(13)14-9(2)10-6-4-3-5-7-10/h3-9H,12H2,1-2H3/t8-,9?/m0/s1
InChIKeyDCTUMHBWCJEEIT-IENPIDJESA-N
MW193.25 g/mol
LogP1.64
Rot. Bonds3

About 1-phenylethyl (2S)-2-aminopropanoate

1-phenylethyl (2S)-2-aminopropanoate (PubChem CID 61279668) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-phenylethyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Name1-phenylethyl (2S)-2-aminopropanoate
PubChem CID61279668
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-phenylethyl (2S)-2-aminopropanoate
SMILESCC(OC(=O)[C@H](C)N)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(12)11(13)14-9(2)10-6-4-3-5-7-10/h3-9H,12H2,1-2H3/t8-,9?/m0/s1
InChIKeyDCTUMHBWCJEEIT-IENPIDJESA-N
XLogP1.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
[(1R)-1-phenylethyl] 2-aminobutanoate
CID 175076698
[(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
1-phenylethyl 3-amino-2-hydroxypropanoate
CID 66164983
[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate
CID 11962000
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
1-phenylethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 61279257
1-phenylethyl benzoate
CID 174857426
1-phenylethyl 2-methylpropanoate;2-phenylethyl 2-methylpropanoate
CID 174429425

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl (2S)-2-aminopropanoate?
The IUPAC name of 1-phenylethyl (2S)-2-aminopropanoate (CID 61279668) is 1-phenylethyl (2S)-2-aminopropanoate.
What is the SMILES notation for 1-phenylethyl (2S)-2-aminopropanoate?
The canonical SMILES for 1-phenylethyl (2S)-2-aminopropanoate is CC(OC(=O)[C@H](C)N)c1ccccc1.
What is the InChIKey of 1-phenylethyl (2S)-2-aminopropanoate?
The InChIKey is DCTUMHBWCJEEIT-IENPIDJESA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(12)11(13)14-9(2)10-6-4-3-5-7-10/h3-9H,12H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of 1-phenylethyl (2S)-2-aminopropanoate?
1-phenylethyl (2S)-2-aminopropanoate has a molecular weight of 193.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl (2S)-2-aminopropanoate is sourced from PubChem (CID 61279668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).