methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate

C11H15NO3 — CID 163358803

IUPACmethyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate
SMILESCOC(=O)CON[C@@H](C)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-9(10-6-4-3-5-7-10)12-15-8-11(13)14-2/h3-7,9,12H,8H2,1-2H3/t9-/m0/s1
InChIKeyRCAZTUJAPOSEDM-VIFPVBQESA-N
MW209.24 g/mol
LogP1.44
Rot. Bonds5

About methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate

methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate (PubChem CID 163358803) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate
PubChem CID163358803
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate
SMILESCOC(=O)CON[C@@H](C)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-9(10-6-4-3-5-7-10)12-15-8-11(13)14-2/h3-7,9,12H,8H2,1-2H3/t9-/m0/s1
InChIKeyRCAZTUJAPOSEDM-VIFPVBQESA-N
XLogP1.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Phenylethylazanium;2,2,2-trifluoroacetate
CID 71673357
N-[(1S)-1-phenylethyl]hydroxylamine; oxalic acid
CID 11954986
1-Phenylpropylazanium;2,2,2-trifluoroacetate
CID 134896672
(S)-O-methyl-N-(1-phenylethyl)hydroxylamine
CID 11073598
(1R)-N-methoxy-1-phenylethanamine
CID 11116233
[n-(4-Fluorobenzyl)aminooxy]-acetic acid tert-butyl ester
CID 23519152
Methyl 2-[[1-(4-fluorophenyl)-2-nitroethyl]amino]oxyacetate
CID 86219137
Methyl 2-[[2-(4-fluorophenyl)-2-nitroethyl]amino]oxyacetate
CID 88119645
[[(1S)-1-phenylethyl]amino] 2-bromo-2-fluoroacetate
CID 175215376
1-phenyl-N-prop-2-enoxyethanamine
CID 10899223
N-benzhydrylhydroxylamine;oxalic acid
CID 11197007
N-(methoxymethoxy)-1-phenylpentan-1-amine
CID 15025162

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate?
The IUPAC name of methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate (CID 163358803) is methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate.
What is the SMILES notation for methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate?
The canonical SMILES for methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate is COC(=O)CON[C@@H](C)c1ccccc1.
What is the InChIKey of methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate?
The InChIKey is RCAZTUJAPOSEDM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO3/c1-9(10-6-4-3-5-7-10)12-15-8-11(13)14-2/h3-7,9,12H,8H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate?
methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate has a molecular weight of 209.24 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1S)-1-phenylethyl]amino]oxyacetate is sourced from PubChem (CID 163358803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).