(Z)-but-2-enedioic acid;N-ethylethanamine

C8H15NO4 — CID 54605353

IUPAC(Z)-but-2-enedioic acid;N-ethylethanamine
SMILESCCNCC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H11N.C4H4O4/c1-3-5-4-2;5-3(6)1-2-4(7)8/h5H,3-4H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyTTWIZPJIKOAWBJ-BTJKTKAUSA-N
MW189.21 g/mol
LogP0.33
Rot. Bonds4

About (Z)-but-2-enedioic acid;N-ethylethanamine

(Z)-but-2-enedioic acid;N-ethylethanamine (PubChem CID 54605353) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;N-ethylethanamine.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;N-ethylethanamine
PubChem CID54605353
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(Z)-but-2-enedioic acid;N-ethylethanamine
SMILESCCNCC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H11N.C4H4O4/c1-3-5-4-2;5-3(6)1-2-4(7)8/h5H,3-4H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyTTWIZPJIKOAWBJ-BTJKTKAUSA-N
XLogP0.33
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-4-(Ethylamino)-4-oxo-2-butenoic acid
CID 5380356
(Triethylammonium) maleate
CID 6441509
N-normal-butyl maleamic acid
CID 5355547
Tetraethylammonium hydrogen maleate
CID 57346752
4-(Ethylamino)-4-oxobut-2-enoic acid
CID 98249
(E)-4-(butylamino)-4-oxobut-2-enoic acid
CID 5875651
(Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol
CID 6441765
N-propan-2-ylpropan-2-amine;prop-2-enoic acid
CID 44150155
(Z)-but-2-enedioic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride
CID 87270444
4-(Butylamino)-4-oxobut-2-enoic acid
CID 97787
2-Butenoic acid, 4-(ethylamino)-4-oxo-, (Z)-
CID 5369191
(Z)-but-2-enedioic acid;N-prop-2-enylprop-2-en-1-amine
CID 117690592

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;N-ethylethanamine?
The IUPAC name of (Z)-but-2-enedioic acid;N-ethylethanamine (CID 54605353) is (Z)-but-2-enedioic acid;N-ethylethanamine.
What is the SMILES notation for (Z)-but-2-enedioic acid;N-ethylethanamine?
The canonical SMILES for (Z)-but-2-enedioic acid;N-ethylethanamine is CCNCC.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;N-ethylethanamine?
The InChIKey is TTWIZPJIKOAWBJ-BTJKTKAUSA-N. The full InChI is InChI=1S/C4H11N.C4H4O4/c1-3-5-4-2;5-3(6)1-2-4(7)8/h5H,3-4H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;N-ethylethanamine?
(Z)-but-2-enedioic acid;N-ethylethanamine has a molecular weight of 189.21 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;N-ethylethanamine is sourced from PubChem (CID 54605353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).