bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate

C12H24N2O6 — CID 174588921

IUPACbis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
SMILESCN(C)CCOC(=O)C(O)C(O)C(=O)OCCN(C)C
InChIInChI=1S/C12H24N2O6/c1-13(2)5-7-19-11(17)9(15)10(16)12(18)20-8-6-14(3)4/h9-10,15-16H,5-8H2,1-4H3
InChIKeyVLSWVDQTWIWXHK-UHFFFAOYSA-N
MW292.33 g/mol
LogP-2.08
Rot. Bonds9

About bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate

bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate (PubChem CID 174588921) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
PubChem CID174588921
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Namebis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
SMILESCN(C)CCOC(=O)C(O)C(O)C(=O)OCCN(C)C
InChIInChI=1S/C12H24N2O6/c1-13(2)5-7-19-11(17)9(15)10(16)12(18)20-8-6-14(3)4/h9-10,15-16H,5-8H2,1-4H3
InChIKeyVLSWVDQTWIWXHK-UHFFFAOYSA-N
XLogP-2.08
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203
2-(dimethylamino)ethyl 2,3-dimethylbutanoate
CID 153241938
2-(dimethylamino)ethyl 2,3-diiodopropanoate
CID 147574545
2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate
CID 147484902
2-(dimethylamino)ethyl N,N-dimethylcarbamate
CID 15114748
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
2-(dimethylamino)ethyl 2-amino-2-oxoacetate
CID 89128247
1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2-bromo-4-methylpentanedioate
CID 20826091
4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
CID 170721410
1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2-chloro-4-methylpentanedioate
CID 90051387
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
bis[2-(dimethylamino)ethoxy]methanethione
CID 88923851

Frequently Asked Questions

What is the IUPAC name of bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate?
The IUPAC name of bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate (CID 174588921) is bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate.
What is the SMILES notation for bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate?
The canonical SMILES for bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate is CN(C)CCOC(=O)C(O)C(O)C(=O)OCCN(C)C.
What is the InChIKey of bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate?
The InChIKey is VLSWVDQTWIWXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6/c1-13(2)5-7-19-11(17)9(15)10(16)12(18)20-8-6-14(3)4/h9-10,15-16H,5-8H2,1-4H3.
What are the key properties of bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate?
bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate has a molecular weight of 292.33 g/mol, XLogP of -2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate is sourced from PubChem (CID 174588921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).