diethyl 2,3-bis(dimethylamino)butanedioate

C12H24N2O4 — CID 13493507

IUPACdiethyl 2,3-bis(dimethylamino)butanedioate
SMILESCCOC(=O)C(C(C(=O)OCC)N(C)C)N(C)C
InChIInChI=1S/C12H24N2O4/c1-7-17-11(15)9(13(3)4)10(14(5)6)12(16)18-8-2/h9-10H,7-8H2,1-6H3
InChIKeyWNZJQQYLZXKEDS-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.03
Rot. Bonds7

About diethyl 2,3-bis(dimethylamino)butanedioate

diethyl 2,3-bis(dimethylamino)butanedioate (PubChem CID 13493507) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is diethyl 2,3-bis(dimethylamino)butanedioate.

Molecular Properties

Compound Namediethyl 2,3-bis(dimethylamino)butanedioate
PubChem CID13493507
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Namediethyl 2,3-bis(dimethylamino)butanedioate
SMILESCCOC(=O)C(C(C(=O)OCC)N(C)C)N(C)C
InChIInChI=1S/C12H24N2O4/c1-7-17-11(15)9(13(3)4)10(14(5)6)12(16)18-8-2/h9-10H,7-8H2,1-6H3
InChIKeyWNZJQQYLZXKEDS-UHFFFAOYSA-N
XLogP-0.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dimethyl 2-(4-(ethoxycarbonyl)piperazin-1-yl)succinate
CID 16462813
Dimethyl 2-(4-methylpiperazin-1-yl)butanedioate
CID 4896716
Dimethyl 2,3-dimorpholin-4-ylbutanedioate
CID 2824790
N,N-diethyl-d,l-aspartic acid dimethyl ester
CID 18801788
Butanedioic acid,2-(1-aziridinyl)-, 1,4-diethyl ester
CID 229933
Diethyl 2-(dimethylamino)butanedioate
CID 85816862
Dibutyl 2-(aziridin-1-yl)butanedioate
CID 265386
Dimethyl 2-[4-(3-methoxy-1-methoxycarbonyl-3-oxo-propyl)piperazin-1-yl]butanedioate
CID 458613
1,4-Dimethyl (2S)-2-(dimethylamino)butanedioate
CID 4712675
Maleic acid + morpholine
CID 7060825
4-O-ethyl 1-O-methyl 2-morpholin-4-ylbutanedioate
CID 135016107
Diethyl 2-[2-(aziridin-1-yl)ethylamino]butanedioate
CID 265340

Frequently Asked Questions

What is the IUPAC name of diethyl 2,3-bis(dimethylamino)butanedioate?
The IUPAC name of diethyl 2,3-bis(dimethylamino)butanedioate (CID 13493507) is diethyl 2,3-bis(dimethylamino)butanedioate.
What is the SMILES notation for diethyl 2,3-bis(dimethylamino)butanedioate?
The canonical SMILES for diethyl 2,3-bis(dimethylamino)butanedioate is CCOC(=O)C(C(C(=O)OCC)N(C)C)N(C)C.
What is the InChIKey of diethyl 2,3-bis(dimethylamino)butanedioate?
The InChIKey is WNZJQQYLZXKEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-7-17-11(15)9(13(3)4)10(14(5)6)12(16)18-8-2/h9-10H,7-8H2,1-6H3.
What are the key properties of diethyl 2,3-bis(dimethylamino)butanedioate?
diethyl 2,3-bis(dimethylamino)butanedioate has a molecular weight of 260.33 g/mol, XLogP of -0.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3-bis(dimethylamino)butanedioate is sourced from PubChem (CID 13493507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).