dimethyl 2-(methylamino)butanedioate

C7H13NO4 — CID 14673371

IUPACdimethyl 2-(methylamino)butanedioate
SMILESCNC(CC(=O)OC)C(=O)OC
InChIInChI=1S/C7H13NO4/c1-8-5(7(10)12-3)4-6(9)11-2/h5,8H,4H2,1-3H3
InChIKeyIFORLBQCBMTFDG-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.69
Rot. Bonds4

About dimethyl 2-(methylamino)butanedioate

dimethyl 2-(methylamino)butanedioate (PubChem CID 14673371) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is dimethyl 2-(methylamino)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(methylamino)butanedioate
PubChem CID14673371
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namedimethyl 2-(methylamino)butanedioate
SMILESCNC(CC(=O)OC)C(=O)OC
InChIInChI=1S/C7H13NO4/c1-8-5(7(10)12-3)4-6(9)11-2/h5,8H,4H2,1-3H3
InChIKeyIFORLBQCBMTFDG-UHFFFAOYSA-N
XLogP-0.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(methylamino)butanedioate?
The IUPAC name of dimethyl 2-(methylamino)butanedioate (CID 14673371) is dimethyl 2-(methylamino)butanedioate.
What is the SMILES notation for dimethyl 2-(methylamino)butanedioate?
The canonical SMILES for dimethyl 2-(methylamino)butanedioate is CNC(CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(methylamino)butanedioate?
The InChIKey is IFORLBQCBMTFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-8-5(7(10)12-3)4-6(9)11-2/h5,8H,4H2,1-3H3.
What are the key properties of dimethyl 2-(methylamino)butanedioate?
dimethyl 2-(methylamino)butanedioate has a molecular weight of 175.18 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(methylamino)butanedioate is sourced from PubChem (CID 14673371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).