[acetyl-(2-phenylacetyl)amino] acetate

C12H13NO4 — CID 12604069

IUPAC[acetyl-(2-phenylacetyl)amino] acetate
SMILESCC(=O)ON(C(C)=O)C(=O)Cc1ccccc1
InChIInChI=1S/C12H13NO4/c1-9(14)13(17-10(2)15)12(16)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyFKSHEUUNPBNUEU-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.08
Rot. Bonds2

About [acetyl-(2-phenylacetyl)amino] acetate

[acetyl-(2-phenylacetyl)amino] acetate (PubChem CID 12604069) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is [acetyl-(2-phenylacetyl)amino] acetate.

Molecular Properties

Compound Name[acetyl-(2-phenylacetyl)amino] acetate
PubChem CID12604069
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name[acetyl-(2-phenylacetyl)amino] acetate
SMILESCC(=O)ON(C(C)=O)C(=O)Cc1ccccc1
InChIInChI=1S/C12H13NO4/c1-9(14)13(17-10(2)15)12(16)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyFKSHEUUNPBNUEU-UHFFFAOYSA-N
XLogP1.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyl-(2-phenylacetyl)amino] acetate?
The IUPAC name of [acetyl-(2-phenylacetyl)amino] acetate (CID 12604069) is [acetyl-(2-phenylacetyl)amino] acetate.
What is the SMILES notation for [acetyl-(2-phenylacetyl)amino] acetate?
The canonical SMILES for [acetyl-(2-phenylacetyl)amino] acetate is CC(=O)ON(C(C)=O)C(=O)Cc1ccccc1.
What is the InChIKey of [acetyl-(2-phenylacetyl)amino] acetate?
The InChIKey is FKSHEUUNPBNUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-9(14)13(17-10(2)15)12(16)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of [acetyl-(2-phenylacetyl)amino] acetate?
[acetyl-(2-phenylacetyl)amino] acetate has a molecular weight of 235.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyl-(2-phenylacetyl)amino] acetate is sourced from PubChem (CID 12604069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).