(3-acetamido-3-oxopropyl) acetate

C7H11NO4 — CID 20757985

IUPAC(3-acetamido-3-oxopropyl) acetate
SMILESCC(=O)NC(=O)CCOC(C)=O
InChIInChI=1S/C7H11NO4/c1-5(9)8-7(11)3-4-12-6(2)10/h3-4H2,1-2H3,(H,8,9,11)
InChIKeyQINXGBRBMCYGGP-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.40
Rot. Bonds3

About (3-acetamido-3-oxopropyl) acetate

(3-acetamido-3-oxopropyl) acetate (PubChem CID 20757985) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (3-acetamido-3-oxopropyl) acetate.

Molecular Properties

Compound Name(3-acetamido-3-oxopropyl) acetate
PubChem CID20757985
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(3-acetamido-3-oxopropyl) acetate
SMILESCC(=O)NC(=O)CCOC(C)=O
InChIInChI=1S/C7H11NO4/c1-5(9)8-7(11)3-4-12-6(2)10/h3-4H2,1-2H3,(H,8,9,11)
InChIKeyQINXGBRBMCYGGP-UHFFFAOYSA-N
XLogP-0.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-acetamido-3-oxopropyl) acetate?
The IUPAC name of (3-acetamido-3-oxopropyl) acetate (CID 20757985) is (3-acetamido-3-oxopropyl) acetate.
What is the SMILES notation for (3-acetamido-3-oxopropyl) acetate?
The canonical SMILES for (3-acetamido-3-oxopropyl) acetate is CC(=O)NC(=O)CCOC(C)=O.
What is the InChIKey of (3-acetamido-3-oxopropyl) acetate?
The InChIKey is QINXGBRBMCYGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-5(9)8-7(11)3-4-12-6(2)10/h3-4H2,1-2H3,(H,8,9,11).
What are the key properties of (3-acetamido-3-oxopropyl) acetate?
(3-acetamido-3-oxopropyl) acetate has a molecular weight of 173.17 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-3-oxopropyl) acetate is sourced from PubChem (CID 20757985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).