dimethyl 2-(dimethylamino)butanedioate

C8H15NO4 — CID 4712675

IUPACdimethyl 2-(dimethylamino)butanedioate
SMILESCOC(=O)CC(C(=O)OC)N(C)C
InChIInChI=1S/C8H15NO4/c1-9(2)6(8(11)13-4)5-7(10)12-3/h6H,5H2,1-4H3
InChIKeyARELCOFELBUQAT-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.35
Rot. Bonds4

About dimethyl 2-(dimethylamino)butanedioate

dimethyl 2-(dimethylamino)butanedioate (PubChem CID 4712675) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is dimethyl 2-(dimethylamino)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(dimethylamino)butanedioate
PubChem CID4712675
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namedimethyl 2-(dimethylamino)butanedioate
SMILESCOC(=O)CC(C(=O)OC)N(C)C
InChIInChI=1S/C8H15NO4/c1-9(2)6(8(11)13-4)5-7(10)12-3/h6H,5H2,1-4H3
InChIKeyARELCOFELBUQAT-UHFFFAOYSA-N
XLogP-0.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dimethyl aspartic acid
CID 12774059
Aspartic acid, N,N-dimethyl-
CID 331530
2-Isocyanosuccinic acid dimethyl ester
CID 2759468
Dimethyl 2-(aziridin-1-yl)butanedioate
CID 282511
Dimethyl 2-(4-methylpiperazin-1-yl)butanedioate
CID 4896716
1,4-Dimethyl 2-(methylamino)butanedioate
CID 14673371
1-Piperidinesuccinic acid, dimethyl ester
CID 140050
Dimethyl 2-pyrrolidin-1-ylbutanedioate
CID 4892838
(2S)-2-(dimethylamino)-4-methoxy-4-oxobutanoicacidhydrochloride
CID 155943720
dimethyl 2-(N-formyl-methylamino)butane-1,4-dioate
CID 14345272
N-acetyl-2,3-bismethoxycarbonylaziridine
CID 15342765
N,N-diethyl-d,l-aspartic acid dimethyl ester
CID 18801788

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(dimethylamino)butanedioate?
The IUPAC name of dimethyl 2-(dimethylamino)butanedioate (CID 4712675) is dimethyl 2-(dimethylamino)butanedioate.
What is the SMILES notation for dimethyl 2-(dimethylamino)butanedioate?
The canonical SMILES for dimethyl 2-(dimethylamino)butanedioate is COC(=O)CC(C(=O)OC)N(C)C.
What is the InChIKey of dimethyl 2-(dimethylamino)butanedioate?
The InChIKey is ARELCOFELBUQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-9(2)6(8(11)13-4)5-7(10)12-3/h6H,5H2,1-4H3.
What are the key properties of dimethyl 2-(dimethylamino)butanedioate?
dimethyl 2-(dimethylamino)butanedioate has a molecular weight of 189.21 g/mol, XLogP of -0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(dimethylamino)butanedioate is sourced from PubChem (CID 4712675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).