(1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate

C10H14N2O6 — CID 3017653

IUPAC(1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate
SMILESCC(=O)NC(=O)C(C)(OC(C)=O)C(=O)NC(C)=O
InChIInChI=1S/C10H14N2O6/c1-5(13)11-8(16)10(4,18-7(3)15)9(17)12-6(2)14/h1-4H3,(H,11,13,16)(H,12,14,17)
InChIKeyVXVZLUGHWLVUEA-UHFFFAOYSA-N
MW258.23 g/mol
LogP-1.37
Rot. Bonds3

About (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate

(1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate (PubChem CID 3017653) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate.

Molecular Properties

Compound Name(1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate
PubChem CID3017653
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name(1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate
SMILESCC(=O)NC(=O)C(C)(OC(C)=O)C(=O)NC(C)=O
InChIInChI=1S/C10H14N2O6/c1-5(13)11-8(16)10(4,18-7(3)15)9(17)12-6(2)14/h1-4H3,(H,11,13,16)(H,12,14,17)
InChIKeyVXVZLUGHWLVUEA-UHFFFAOYSA-N
XLogP-1.37
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-acetyloxy-2-methylpropanedioate
CID 87273644
2-acetamido-N-acetyl-2-methylpropanamide
CID 130013790
tert-butyl acetate
CID 159704758
[2-methyl-1,3-bis(methylsulfanyl)-1,3-dioxopropan-2-yl] acetate
CID 101392799
ethanol;(3-methyl-2,4-dioxopentan-3-yl) acetate
CID 88995879
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269
1,1,2,2,2-pentaacetyloxyethyl acetate
CID 71773968
diethyl 2-acetyloxy-2-methylpropanedioate
CID 14271792
1,1-diaminoethyl acetate
CID 87732493
CID 87138094
CID 87138094
2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate
CID 142775471

Frequently Asked Questions

What is the IUPAC name of (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate?
The IUPAC name of (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate (CID 3017653) is (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate.
What is the SMILES notation for (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate?
The canonical SMILES for (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate is CC(=O)NC(=O)C(C)(OC(C)=O)C(=O)NC(C)=O.
What is the InChIKey of (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate?
The InChIKey is VXVZLUGHWLVUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-5(13)11-8(16)10(4,18-7(3)15)9(17)12-6(2)14/h1-4H3,(H,11,13,16)(H,12,14,17).
What are the key properties of (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate?
(1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate has a molecular weight of 258.23 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate is sourced from PubChem (CID 3017653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).