dimethyl 2-[formyl(methyl)amino]butanedioate

C8H13NO5 — CID 14345272

IUPACdimethyl 2-[formyl(methyl)amino]butanedioate
SMILESCOC(=O)CC(C(=O)OC)N(C)C=O
InChIInChI=1S/C8H13NO5/c1-9(5-10)6(8(12)14-3)4-7(11)13-2/h5-6H,4H2,1-3H3
InChIKeyFGEYPUQAZPBZLX-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.82
Rot. Bonds5

About dimethyl 2-[formyl(methyl)amino]butanedioate

dimethyl 2-[formyl(methyl)amino]butanedioate (PubChem CID 14345272) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is dimethyl 2-[formyl(methyl)amino]butanedioate.

Molecular Properties

Compound Namedimethyl 2-[formyl(methyl)amino]butanedioate
PubChem CID14345272
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Namedimethyl 2-[formyl(methyl)amino]butanedioate
SMILESCOC(=O)CC(C(=O)OC)N(C)C=O
InChIInChI=1S/C8H13NO5/c1-9(5-10)6(8(12)14-3)4-7(11)13-2/h5-6H,4H2,1-3H3
InChIKeyFGEYPUQAZPBZLX-UHFFFAOYSA-N
XLogP-0.82
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[formyl(methyl)amino]butanedioate?
The IUPAC name of dimethyl 2-[formyl(methyl)amino]butanedioate (CID 14345272) is dimethyl 2-[formyl(methyl)amino]butanedioate.
What is the SMILES notation for dimethyl 2-[formyl(methyl)amino]butanedioate?
The canonical SMILES for dimethyl 2-[formyl(methyl)amino]butanedioate is COC(=O)CC(C(=O)OC)N(C)C=O.
What is the InChIKey of dimethyl 2-[formyl(methyl)amino]butanedioate?
The InChIKey is FGEYPUQAZPBZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-9(5-10)6(8(12)14-3)4-7(11)13-2/h5-6H,4H2,1-3H3.
What are the key properties of dimethyl 2-[formyl(methyl)amino]butanedioate?
dimethyl 2-[formyl(methyl)amino]butanedioate has a molecular weight of 203.19 g/mol, XLogP of -0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[formyl(methyl)amino]butanedioate is sourced from PubChem (CID 14345272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).