(2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate

C12H23NO4 — CID 75468084

IUPAC(2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate
SMILESCCOC(=O)COC(=O)C(CC)N(CC)CC
InChIInChI=1S/C12H23NO4/c1-5-10(13(6-2)7-3)12(15)17-9-11(14)16-8-4/h10H,5-9H2,1-4H3
InChIKeyBPAUBDCYQWLGLV-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.21
Rot. Bonds8

About (2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate

(2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate (PubChem CID 75468084) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate
PubChem CID75468084
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name(2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate
SMILESCCOC(=O)COC(=O)C(CC)N(CC)CC
InChIInChI=1S/C12H23NO4/c1-5-10(13(6-2)7-3)12(15)17-9-11(14)16-8-4/h10H,5-9H2,1-4H3
InChIKeyBPAUBDCYQWLGLV-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-(diethylamino)butanoate
CID 30030921
ethyl 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]butanoate
CID 64660529
ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
CID 102994723
buta-1,3-diene;2-(diethylamino)butanoyl 2-(diethylamino)butanoate
CID 134229653
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
CID 64663015
ethyl 2-[bis(cyanomethyl)amino]butanoate
CID 64661054
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
(3S)-3-(diethylamino)-5-methylheptan-4-one
CID 130436608
ethyl 2-(diethylamino)-5-methylhex-4-enoate
CID 23265794
ethyl 2-[ethyl(propan-2-yl)amino]butanoate
CID 64663080
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate (CID 75468084) is (2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate is CCOC(=O)COC(=O)C(CC)N(CC)CC.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate?
The InChIKey is BPAUBDCYQWLGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-5-10(13(6-2)7-3)12(15)17-9-11(14)16-8-4/h10H,5-9H2,1-4H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate?
(2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate has a molecular weight of 245.32 g/mol, XLogP of 1.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate is sourced from PubChem (CID 75468084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).