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

C8H15NO3 — CID 58544228

IUPAC[3-(dimethylamino)-3-oxopropyl] propanoate
SMILESCCC(=O)OCCC(=O)N(C)C
InChIInChI=1S/C8H15NO3/c1-4-8(11)12-6-5-7(10)9(2)3/h4-6H2,1-3H3
InChIKeyGENZZDBCNMGTLS-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.42
Rot. Bonds4

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

[3-(dimethylamino)-3-oxopropyl] propanoate (PubChem CID 58544228) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [3-(dimethylamino)-3-oxopropyl] propanoate.

Molecular Properties

Compound Name[3-(dimethylamino)-3-oxopropyl] propanoate
PubChem CID58544228
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[3-(dimethylamino)-3-oxopropyl] propanoate
SMILESCCC(=O)OCCC(=O)N(C)C
InChIInChI=1S/C8H15NO3/c1-4-8(11)12-6-5-7(10)9(2)3/h4-6H2,1-3H3
InChIKeyGENZZDBCNMGTLS-UHFFFAOYSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-oxopropyl] propanoate?
The IUPAC name of [3-(dimethylamino)-3-oxopropyl] propanoate (CID 58544228) is [3-(dimethylamino)-3-oxopropyl] propanoate.
What is the SMILES notation for [3-(dimethylamino)-3-oxopropyl] propanoate?
The canonical SMILES for [3-(dimethylamino)-3-oxopropyl] propanoate is CCC(=O)OCCC(=O)N(C)C.
What is the InChIKey of [3-(dimethylamino)-3-oxopropyl] propanoate?
The InChIKey is GENZZDBCNMGTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-8(11)12-6-5-7(10)9(2)3/h4-6H2,1-3H3.
What are the key properties of [3-(dimethylamino)-3-oxopropyl] propanoate?
[3-(dimethylamino)-3-oxopropyl] propanoate has a molecular weight of 173.21 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-oxopropyl] propanoate is sourced from PubChem (CID 58544228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).