diethyl (Z)-3-(methylamino)pent-2-enedioate

C10H17NO4 — CID 5372676

IUPACdiethyl (Z)-3-(methylamino)pent-2-enedioate
SMILESCCOC(=O)/C=C(/CC(=O)OCC)NC
InChIInChI=1S/C10H17NO4/c1-4-14-9(12)6-8(11-3)7-10(13)15-5-2/h6,11H,4-5,7H2,1-3H3/b8-6-
InChIKeyVRVVKKFMBDIJQV-VURMDHGXSA-N
MW215.25 g/mol
LogP0.61
Rot. Bonds6

About diethyl (Z)-3-(methylamino)pent-2-enedioate

diethyl (Z)-3-(methylamino)pent-2-enedioate (PubChem CID 5372676) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is diethyl (Z)-3-(methylamino)pent-2-enedioate.

Molecular Properties

Compound Namediethyl (Z)-3-(methylamino)pent-2-enedioate
PubChem CID5372676
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namediethyl (Z)-3-(methylamino)pent-2-enedioate
SMILESCCOC(=O)/C=C(/CC(=O)OCC)NC
InChIInChI=1S/C10H17NO4/c1-4-14-9(12)6-8(11-3)7-10(13)15-5-2/h6,11H,4-5,7H2,1-3H3/b8-6-
InChIKeyVRVVKKFMBDIJQV-VURMDHGXSA-N
XLogP0.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-acetyloxy-3-(methylamino)but-2-enoate
CID 173442900
copper diethyl (E)-3-hydroxypent-2-enedioate
CID 54713012
diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;ethane
CID 123991095
diethyl 3-(3-chloroanilino)pent-2-enedioate
CID 66657591
5-O-ethyl 1-O-methyl (E)-3-methylpent-2-enedioate
CID 5372586
ethyl 3-amino-3-(hydroxyamino)prop-2-enoate
CID 170922879
ethyl (Z)-3-acetamidohex-2-enoate
CID 10726666
potassium;diethyl propanedioate;sulfanide
CID 159289328
butane;diethyl propanedioate
CID 87110467
diethyl (Z)-3,6-dioxooct-4-enedioate
CID 141136396
ethyl 3-hydroxybut-2-enoate
CID 54692957

Frequently Asked Questions

What is the IUPAC name of diethyl (Z)-3-(methylamino)pent-2-enedioate?
The IUPAC name of diethyl (Z)-3-(methylamino)pent-2-enedioate (CID 5372676) is diethyl (Z)-3-(methylamino)pent-2-enedioate.
What is the SMILES notation for diethyl (Z)-3-(methylamino)pent-2-enedioate?
The canonical SMILES for diethyl (Z)-3-(methylamino)pent-2-enedioate is CCOC(=O)/C=C(/CC(=O)OCC)NC.
What is the InChIKey of diethyl (Z)-3-(methylamino)pent-2-enedioate?
The InChIKey is VRVVKKFMBDIJQV-VURMDHGXSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-14-9(12)6-8(11-3)7-10(13)15-5-2/h6,11H,4-5,7H2,1-3H3/b8-6-.
What are the key properties of diethyl (Z)-3-(methylamino)pent-2-enedioate?
diethyl (Z)-3-(methylamino)pent-2-enedioate has a molecular weight of 215.25 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (Z)-3-(methylamino)pent-2-enedioate is sourced from PubChem (CID 5372676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).