methyl 2-[(1R)-1-phenylethyl]iminoacetate

C11H13NO2 — CID 86598924

IUPACmethyl 2-[(1R)-1-phenylethyl]iminoacetate
SMILESCOC(=O)/C=N/[C@H](C)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-9(12-8-11(13)14-2)10-6-4-3-5-7-10/h3-9H,1-2H3/b12-8+/t9-/m1/s1
InChIKeyUXRHYUSIOTYRRH-YXYQAXARSA-N
MW191.23 g/mol
LogP1.99
Rot. Bonds3

About methyl 2-[(1R)-1-phenylethyl]iminoacetate

methyl 2-[(1R)-1-phenylethyl]iminoacetate (PubChem CID 86598924) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 2-[(1R)-1-phenylethyl]iminoacetate.

Molecular Properties

Compound Namemethyl 2-[(1R)-1-phenylethyl]iminoacetate
PubChem CID86598924
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 2-[(1R)-1-phenylethyl]iminoacetate
SMILESCOC(=O)/C=N/[C@H](C)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-9(12-8-11(13)14-2)10-6-4-3-5-7-10/h3-9H,1-2H3/b12-8+/t9-/m1/s1
InChIKeyUXRHYUSIOTYRRH-YXYQAXARSA-N
XLogP1.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-1-phenylethyl]iminoacetate?
The IUPAC name of methyl 2-[(1R)-1-phenylethyl]iminoacetate (CID 86598924) is methyl 2-[(1R)-1-phenylethyl]iminoacetate.
What is the SMILES notation for methyl 2-[(1R)-1-phenylethyl]iminoacetate?
The canonical SMILES for methyl 2-[(1R)-1-phenylethyl]iminoacetate is COC(=O)/C=N/[C@H](C)c1ccccc1.
What is the InChIKey of methyl 2-[(1R)-1-phenylethyl]iminoacetate?
The InChIKey is UXRHYUSIOTYRRH-YXYQAXARSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(12-8-11(13)14-2)10-6-4-3-5-7-10/h3-9H,1-2H3/b12-8+/t9-/m1/s1.
What are the key properties of methyl 2-[(1R)-1-phenylethyl]iminoacetate?
methyl 2-[(1R)-1-phenylethyl]iminoacetate has a molecular weight of 191.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R)-1-phenylethyl]iminoacetate is sourced from PubChem (CID 86598924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).