[3-(dimethylamino)-3-oxopropyl] acetate

C7H13NO3 — CID 131851081

IUPAC[3-(dimethylamino)-3-oxopropyl] acetate
SMILESCC(=O)OCCC(=O)N(C)C
InChIInChI=1S/C7H13NO3/c1-6(9)11-5-4-7(10)8(2)3/h4-5H2,1-3H3
InChIKeyHGELJWSLHLKSSE-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.03
Rot. Bonds3

About [3-(dimethylamino)-3-oxopropyl] acetate

[3-(dimethylamino)-3-oxopropyl] acetate (PubChem CID 131851081) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is [3-(dimethylamino)-3-oxopropyl] acetate.

Molecular Properties

Compound Name[3-(dimethylamino)-3-oxopropyl] acetate
PubChem CID131851081
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name[3-(dimethylamino)-3-oxopropyl] acetate
SMILESCC(=O)OCCC(=O)N(C)C
InChIInChI=1S/C7H13NO3/c1-6(9)11-5-4-7(10)8(2)3/h4-5H2,1-3H3
InChIKeyHGELJWSLHLKSSE-UHFFFAOYSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Propanamide, 3-methoxy-N,N-dimethyl-
CID 104427
Methyl 2-(dimethylcarbamoyl)acetate
CID 11679835
Ethyl 3-(dimethylamino)-3-oxopropanoate
CID 258391
3-Butoxy-N,N-dimethylpropanamide
CID 54576648
Ethyl 3-(dimethylamino)-2,2-difluoro-3-oxopropanoate
CID 121234648
Propanoic acid, 3-(ethylmethylamino)-3-oxo-, ethyl ester
CID 12249488
[3-(Dimethylamino)-3-oxopropyl] formate
CID 53995595
[3-(Dimethylamino)-3-oxopropyl] propanoate
CID 58544228
Ethyl 3-(dimethylamino)-2,2-dimethyl-3-oxopropanoate
CID 58728605
3-ethoxy-N,N-dimethylpropanamide
CID 63184712
N,N-dimethyl-3-propoxypropanamide
CID 64591697
Propan-2-yl 3-(dimethylamino)-3-oxopropanoate
CID 88064219

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-oxopropyl] acetate?
The IUPAC name of [3-(dimethylamino)-3-oxopropyl] acetate (CID 131851081) is [3-(dimethylamino)-3-oxopropyl] acetate.
What is the SMILES notation for [3-(dimethylamino)-3-oxopropyl] acetate?
The canonical SMILES for [3-(dimethylamino)-3-oxopropyl] acetate is CC(=O)OCCC(=O)N(C)C.
What is the InChIKey of [3-(dimethylamino)-3-oxopropyl] acetate?
The InChIKey is HGELJWSLHLKSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(9)11-5-4-7(10)8(2)3/h4-5H2,1-3H3.
What are the key properties of [3-(dimethylamino)-3-oxopropyl] acetate?
[3-(dimethylamino)-3-oxopropyl] acetate has a molecular weight of 159.19 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-oxopropyl] acetate is sourced from PubChem (CID 131851081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).