diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate

C13H24N2O5 — CID 10637088

IUPACdiethyl 2-(diethylaminomethyl)-2-formamidopropanedioate
SMILESCCOC(=O)C(CN(CC)CC)(NC=O)C(=O)OCC
InChIInChI=1S/C13H24N2O5/c1-5-15(6-2)9-13(14-10-16,11(17)19-7-3)12(18)20-8-4/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyQMBVQBNQGCLHPQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP-0.06
Rot. Bonds10

About diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate

diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate (PubChem CID 10637088) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate.

Molecular Properties

Compound Namediethyl 2-(diethylaminomethyl)-2-formamidopropanedioate
PubChem CID10637088
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Namediethyl 2-(diethylaminomethyl)-2-formamidopropanedioate
SMILESCCOC(=O)C(CN(CC)CC)(NC=O)C(=O)OCC
InChIInChI=1S/C13H24N2O5/c1-5-15(6-2)9-13(14-10-16,11(17)19-7-3)12(18)20-8-4/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyQMBVQBNQGCLHPQ-UHFFFAOYSA-N
XLogP-0.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(2-chloroprop-2-enyl)-2-formamidopropanedioate
CID 13448034
diethyl 2-[[benzyl(methyl)amino]methyl]-2-formamidopropanedioate
CID 10735592
ethyl 3-(diethylamino)-2,2-difluoropropanoate
CID 165462846
diethyl 2-formamido-2-phenacylpropanedioate
CID 23201600
diethyl 2-(diethylaminomethyl)-2-prop-2-enylpropanedioate chloride
CID 21204581
diethyl 2-formamido-2-(3-phenylprop-2-ynyl)propanedioate
CID 131843012
diethyl 2-[(2-benzylphenyl)methyl]-2-formamidopropanedioate
CID 10430042
methyl 3-(diethylamino)-2,2-dimethylpropanoate
CID 79623821
diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate
CID 54322974
diethyl 2-formamido-2-[(4-methyl-1H-indol-3-yl)methyl]propanedioate
CID 11002496
N,N-diethylethanamine;ethyl methyl carbonate
CID 175445497
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate?
The IUPAC name of diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate (CID 10637088) is diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate.
What is the SMILES notation for diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate?
The canonical SMILES for diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate is CCOC(=O)C(CN(CC)CC)(NC=O)C(=O)OCC.
What is the InChIKey of diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate?
The InChIKey is QMBVQBNQGCLHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-5-15(6-2)9-13(14-10-16,11(17)19-7-3)12(18)20-8-4/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate?
diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate has a molecular weight of 288.34 g/mol, XLogP of -0.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate is sourced from PubChem (CID 10637088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).