2-methylpropyl 2-(diethylamino)acetate

C10H21NO2 — CID 20694675

IUPAC2-methylpropyl 2-(diethylamino)acetate
SMILESCCN(CC)CC(=O)OCC(C)C
InChIInChI=1S/C10H21NO2/c1-5-11(6-2)7-10(12)13-8-9(3)4/h9H,5-8H2,1-4H3
InChIKeyLJBLSSFHDFEIAU-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds6

About 2-methylpropyl 2-(diethylamino)acetate

2-methylpropyl 2-(diethylamino)acetate (PubChem CID 20694675) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methylpropyl 2-(diethylamino)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(diethylamino)acetate
PubChem CID20694675
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methylpropyl 2-(diethylamino)acetate
SMILESCCN(CC)CC(=O)OCC(C)C
InChIInChI=1S/C10H21NO2/c1-5-11(6-2)7-10(12)13-8-9(3)4/h9H,5-8H2,1-4H3
InChIKeyLJBLSSFHDFEIAU-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(diethylamino)acetate?
The IUPAC name of 2-methylpropyl 2-(diethylamino)acetate (CID 20694675) is 2-methylpropyl 2-(diethylamino)acetate.
What is the SMILES notation for 2-methylpropyl 2-(diethylamino)acetate?
The canonical SMILES for 2-methylpropyl 2-(diethylamino)acetate is CCN(CC)CC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(diethylamino)acetate?
The InChIKey is LJBLSSFHDFEIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-11(6-2)7-10(12)13-8-9(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 2-methylpropyl 2-(diethylamino)acetate?
2-methylpropyl 2-(diethylamino)acetate has a molecular weight of 187.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(diethylamino)acetate is sourced from PubChem (CID 20694675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).