methyl 2-(dipropylamino)acetate

C9H19NO2 — CID 19379818

IUPACmethyl 2-(dipropylamino)acetate
SMILESCCCN(CCC)CC(=O)OC
InChIInChI=1S/C9H19NO2/c1-4-6-10(7-5-2)8-9(11)12-3/h4-8H2,1-3H3
InChIKeyUZXHUSJLJJRUAG-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds6

About methyl 2-(dipropylamino)acetate

methyl 2-(dipropylamino)acetate (PubChem CID 19379818) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 2-(dipropylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(dipropylamino)acetate
PubChem CID19379818
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 2-(dipropylamino)acetate
SMILESCCCN(CCC)CC(=O)OC
InChIInChI=1S/C9H19NO2/c1-4-6-10(7-5-2)8-9(11)12-3/h4-8H2,1-3H3
InChIKeyUZXHUSJLJJRUAG-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dipropylamino)acetate?
The IUPAC name of methyl 2-(dipropylamino)acetate (CID 19379818) is methyl 2-(dipropylamino)acetate.
What is the SMILES notation for methyl 2-(dipropylamino)acetate?
The canonical SMILES for methyl 2-(dipropylamino)acetate is CCCN(CCC)CC(=O)OC.
What is the InChIKey of methyl 2-(dipropylamino)acetate?
The InChIKey is UZXHUSJLJJRUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-6-10(7-5-2)8-9(11)12-3/h4-8H2,1-3H3.
What are the key properties of methyl 2-(dipropylamino)acetate?
methyl 2-(dipropylamino)acetate has a molecular weight of 173.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dipropylamino)acetate is sourced from PubChem (CID 19379818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).