(Z)-4-(ethylamino)-4-oxobut-2-enoic acid

C6H9NO3 — CID 5380356

IUPAC(Z)-4-(ethylamino)-4-oxobut-2-enoic acid
SMILESCCNC(=O)/C=C\C(=O)O
InChIInChI=1S/C6H9NO3/c1-2-7-5(8)3-4-6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)/b4-3-
InChIKeyHBQGCOWNLUOCBU-ARJAWSKDSA-N
MW143.14 g/mol
LogP-0.24
Rot. Bonds3

About (Z)-4-(ethylamino)-4-oxobut-2-enoic acid

(Z)-4-(ethylamino)-4-oxobut-2-enoic acid (PubChem CID 5380356) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (Z)-4-(ethylamino)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(ethylamino)-4-oxobut-2-enoic acid
PubChem CID5380356
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(Z)-4-(ethylamino)-4-oxobut-2-enoic acid
SMILESCCNC(=O)/C=C\C(=O)O
InChIInChI=1S/C6H9NO3/c1-2-7-5(8)3-4-6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)/b4-3-
InChIKeyHBQGCOWNLUOCBU-ARJAWSKDSA-N
XLogP-0.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(ethylamino)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(ethylamino)-4-oxobut-2-enoic acid (CID 5380356) is (Z)-4-(ethylamino)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(ethylamino)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(ethylamino)-4-oxobut-2-enoic acid is CCNC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-(ethylamino)-4-oxobut-2-enoic acid?
The InChIKey is HBQGCOWNLUOCBU-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-7-5(8)3-4-6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)/b4-3-.
What are the key properties of (Z)-4-(ethylamino)-4-oxobut-2-enoic acid?
(Z)-4-(ethylamino)-4-oxobut-2-enoic acid has a molecular weight of 143.14 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(ethylamino)-4-oxobut-2-enoic acid is sourced from PubChem (CID 5380356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).