bis(ethylamino) (E)-but-2-enedioate

C8H14N2O4 — CID 174375026

IUPACbis(ethylamino) (E)-but-2-enedioate
SMILESCCNOC(=O)/C=C/C(=O)ONCC
InChIInChI=1S/C8H14N2O4/c1-3-9-13-7(11)5-6-8(12)14-10-4-2/h5-6,9-10H,3-4H2,1-2H3/b6-5+
InChIKeyLRQVCOOAMDYKNQ-AATRIKPKSA-N
MW202.21 g/mol
LogP-0.32
Rot. Bonds6

About bis(ethylamino) (E)-but-2-enedioate

bis(ethylamino) (E)-but-2-enedioate (PubChem CID 174375026) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is bis(ethylamino) (E)-but-2-enedioate.

Molecular Properties

Compound Namebis(ethylamino) (E)-but-2-enedioate
PubChem CID174375026
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namebis(ethylamino) (E)-but-2-enedioate
SMILESCCNOC(=O)/C=C/C(=O)ONCC
InChIInChI=1S/C8H14N2O4/c1-3-9-13-7(11)5-6-8(12)14-10-4-2/h5-6,9-10H,3-4H2,1-2H3/b6-5+
InChIKeyLRQVCOOAMDYKNQ-AATRIKPKSA-N
XLogP-0.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(ethylamino) (E)-but-2-enedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(hexylamino) (Z)-but-2-enedioate
CID 174812524
4-O-(2-aminoethylamino) 1-O-methyl (E)-but-2-enedioate
CID 130312327
2-O-(ethylamino) 1-O-methyl oxalate
CID 121410359
(E)-but-2-enedioic acid;propylamino but-2-enoate
CID 175709551
ethylamino 2-methylpent-2-enoate
CID 123727023
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
bis[2-(ethylamino)-2-oxoethyl] (E)-but-2-enedioate
CID 35700508
CID 160615105
CID 160615105
dipropanoyl (Z)-but-2-enedioate
CID 88688365
bis[1-(ethylamino)propyl] (Z)-but-2-enedioate
CID 88732806
(Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid
CID 122650241
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311

Frequently Asked Questions

What is the IUPAC name of bis(ethylamino) (E)-but-2-enedioate?
The IUPAC name of bis(ethylamino) (E)-but-2-enedioate (CID 174375026) is bis(ethylamino) (E)-but-2-enedioate.
What is the SMILES notation for bis(ethylamino) (E)-but-2-enedioate?
The canonical SMILES for bis(ethylamino) (E)-but-2-enedioate is CCNOC(=O)/C=C/C(=O)ONCC.
What is the InChIKey of bis(ethylamino) (E)-but-2-enedioate?
The InChIKey is LRQVCOOAMDYKNQ-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-3-9-13-7(11)5-6-8(12)14-10-4-2/h5-6,9-10H,3-4H2,1-2H3/b6-5+.
What are the key properties of bis(ethylamino) (E)-but-2-enedioate?
bis(ethylamino) (E)-but-2-enedioate has a molecular weight of 202.21 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethylamino) (E)-but-2-enedioate is sourced from PubChem (CID 174375026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).