(2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate

C17H19NO3 — CID 145114679

IUPAC(2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(18)17(19)20-12-16(14-8-4-2-5-9-14)21-15-10-6-3-7-11-15/h2-11,13,16H,12,18H2,1H3/t13-,16?/m0/s1
InChIKeyJTIDRTHZYDHLIX-KNVGNIICSA-N
MW285.34 g/mol
LogP2.70
Rot. Bonds6

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

(2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate (PubChem CID 145114679) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate.

Molecular Properties

Compound Name(2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate
PubChem CID145114679
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(18)17(19)20-12-16(14-8-4-2-5-9-14)21-15-10-6-3-7-11-15/h2-11,13,16H,12,18H2,1H3/t13-,16?/m0/s1
InChIKeyJTIDRTHZYDHLIX-KNVGNIICSA-N
XLogP2.70
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxyethyl 2-aminopropanoate
CID 61301873
[2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate
CID 150733886
ethyl 4-phenoxy-4-phenylbutanoate
CID 151980337
(2-phenoxy-2-phenylethyl) (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 145114799
2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
2-methylpropyl (2R)-2-amino-2-phenylacetate
CID 61278245
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
2-methylidene-4-phenoxy-4-phenylbutanoic acid
CID 126685900
benzyl (2S)-2-aminopropanoate
CID 726858
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303

Frequently Asked Questions

What is the IUPAC name of (2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate?
The IUPAC name of (2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate (CID 145114679) is (2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate.
What is the SMILES notation for (2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate?
The canonical SMILES for (2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate is C[C@H](N)C(=O)OCC(Oc1ccccc1)c1ccccc1.
What is the InChIKey of (2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate?
The InChIKey is JTIDRTHZYDHLIX-KNVGNIICSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(18)17(19)20-12-16(14-8-4-2-5-9-14)21-15-10-6-3-7-11-15/h2-11,13,16H,12,18H2,1H3/t13-,16?/m0/s1.
What are the key properties of (2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate?
(2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate has a molecular weight of 285.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate is sourced from PubChem (CID 145114679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).