[(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate

C11H13NO4 — CID 134988655

IUPAC[(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate
SMILESCOc1ccc([C@@H](OC(C)=O)C(N)=O)cc1
InChIInChI=1S/C11H13NO4/c1-7(13)16-10(11(12)14)8-3-5-9(15-2)6-4-8/h3-6,10H,1-2H3,(H2,12,14)/t10-/m1/s1
InChIKeyGQKWSEIIGAMOKP-SNVBAGLBSA-N
MW223.23 g/mol
LogP0.78
Rot. Bonds4

About [(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate

[(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate (PubChem CID 134988655) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is [(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate
PubChem CID134988655
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name[(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate
SMILESCOc1ccc([C@@H](OC(C)=O)C(N)=O)cc1
InChIInChI=1S/C11H13NO4/c1-7(13)16-10(11(12)14)8-3-5-9(15-2)6-4-8/h3-6,10H,1-2H3,(H2,12,14)/t10-/m1/s1
InChIKeyGQKWSEIIGAMOKP-SNVBAGLBSA-N
XLogP0.78
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate?
The IUPAC name of [(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate (CID 134988655) is [(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate.
What is the SMILES notation for [(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate?
The canonical SMILES for [(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate is COc1ccc([C@@H](OC(C)=O)C(N)=O)cc1.
What is the InChIKey of [(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate?
The InChIKey is GQKWSEIIGAMOKP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(13)16-10(11(12)14)8-3-5-9(15-2)6-4-8/h3-6,10H,1-2H3,(H2,12,14)/t10-/m1/s1.
What are the key properties of [(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate?
[(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate has a molecular weight of 223.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate is sourced from PubChem (CID 134988655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).