(2-amino-3-oxo-3-phenylpropyl) acetate

C11H13NO3 — CID 11195908

IUPAC(2-amino-3-oxo-3-phenylpropyl) acetate
SMILESCC(=O)OCC(N)C(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(13)15-7-10(12)11(14)9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3
InChIKeyKSFPFQOCXMOQED-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.76
Rot. Bonds4

About (2-amino-3-oxo-3-phenylpropyl) acetate

(2-amino-3-oxo-3-phenylpropyl) acetate (PubChem CID 11195908) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2-amino-3-oxo-3-phenylpropyl) acetate.

Molecular Properties

Compound Name(2-amino-3-oxo-3-phenylpropyl) acetate
PubChem CID11195908
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2-amino-3-oxo-3-phenylpropyl) acetate
SMILESCC(=O)OCC(N)C(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(13)15-7-10(12)11(14)9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3
InChIKeyKSFPFQOCXMOQED-UHFFFAOYSA-N
XLogP0.76
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-oxo-3-phenylpropyl) acetate?
The IUPAC name of (2-amino-3-oxo-3-phenylpropyl) acetate (CID 11195908) is (2-amino-3-oxo-3-phenylpropyl) acetate.
What is the SMILES notation for (2-amino-3-oxo-3-phenylpropyl) acetate?
The canonical SMILES for (2-amino-3-oxo-3-phenylpropyl) acetate is CC(=O)OCC(N)C(=O)c1ccccc1.
What is the InChIKey of (2-amino-3-oxo-3-phenylpropyl) acetate?
The InChIKey is KSFPFQOCXMOQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)15-7-10(12)11(14)9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3.
What are the key properties of (2-amino-3-oxo-3-phenylpropyl) acetate?
(2-amino-3-oxo-3-phenylpropyl) acetate has a molecular weight of 207.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-oxo-3-phenylpropyl) acetate is sourced from PubChem (CID 11195908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).