dimethyl 2-(methylamino)propanedioate;ethane

C8H17NO4 — CID 143043774

IUPACdimethyl 2-(methylamino)propanedioate;ethane
SMILESCC.CNC(C(=O)OC)C(=O)OC
InChIInChI=1S/C6H11NO4.C2H6/c1-7-4(5(8)10-2)6(9)11-3;1-2/h4,7H,1-3H3;1-2H3
InChIKeyRRCBTQXGFGAXHK-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.05
Rot. Bonds3

About dimethyl 2-(methylamino)propanedioate;ethane

dimethyl 2-(methylamino)propanedioate;ethane (PubChem CID 143043774) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is dimethyl 2-(methylamino)propanedioate;ethane.

Molecular Properties

Compound Namedimethyl 2-(methylamino)propanedioate;ethane
PubChem CID143043774
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Namedimethyl 2-(methylamino)propanedioate;ethane
SMILESCC.CNC(C(=O)OC)C(=O)OC
InChIInChI=1S/C6H11NO4.C2H6/c1-7-4(5(8)10-2)6(9)11-3;1-2/h4,7H,1-3H3;1-2H3
InChIKeyRRCBTQXGFGAXHK-UHFFFAOYSA-N
XLogP-0.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2,3-bis(methylamino)-3-oxopropanoate
CID 86679247
methyl 2-(methylamino)-3,4-dioxopentanoate
CID 123443611
ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate
CID 144704332
ethane;methyl 3-amino-2-(methylamino)propanoate
CID 142001160
tetramethyl 2-methylpropane-1,1,3,3-tetracarboxylate
CID 2192496
dimethyl carbonate;ethane
CID 160632176
methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate
CID 11615188
methyl 3-(4-hydroxyphenyl)-2-(methylamino)-4-oxobut-3-enoate
CID 176541652
CID 160626565
CID 160626565
methyl 2-(1-methoxycyclopropyl)-2-(methylamino)acetate;hydrochloride
CID 175601721
methyl 2-aminopropanoate
CID 159707893
methyl 2-methylpropanoate;titanium
CID 174633551

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(methylamino)propanedioate;ethane?
The IUPAC name of dimethyl 2-(methylamino)propanedioate;ethane (CID 143043774) is dimethyl 2-(methylamino)propanedioate;ethane.
What is the SMILES notation for dimethyl 2-(methylamino)propanedioate;ethane?
The canonical SMILES for dimethyl 2-(methylamino)propanedioate;ethane is CC.CNC(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(methylamino)propanedioate;ethane?
The InChIKey is RRCBTQXGFGAXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.C2H6/c1-7-4(5(8)10-2)6(9)11-3;1-2/h4,7H,1-3H3;1-2H3.
What are the key properties of dimethyl 2-(methylamino)propanedioate;ethane?
dimethyl 2-(methylamino)propanedioate;ethane has a molecular weight of 191.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(methylamino)propanedioate;ethane is sourced from PubChem (CID 143043774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).