(E)-4-(ethoxyamino)but-2-enoic acid

C6H11NO3 — CID 103254497

IUPAC(E)-4-(ethoxyamino)but-2-enoic acid
SMILESCCONC/C=C/C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-10-7-5-3-4-6(8)9/h3-4,7H,2,5H2,1H3,(H,8,9)/b4-3+
InChIKeyGLAZYPGAFMUOLC-ONEGZZNKSA-N
MW145.16 g/mol
LogP0.17
Rot. Bonds5

About (E)-4-(ethoxyamino)but-2-enoic acid

(E)-4-(ethoxyamino)but-2-enoic acid (PubChem CID 103254497) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (E)-4-(ethoxyamino)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(ethoxyamino)but-2-enoic acid
PubChem CID103254497
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(E)-4-(ethoxyamino)but-2-enoic acid
SMILESCCONC/C=C/C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-10-7-5-3-4-6(8)9/h3-4,7H,2,5H2,1H3,(H,8,9)/b4-3+
InChIKeyGLAZYPGAFMUOLC-ONEGZZNKSA-N
XLogP0.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Aminoisocrotonic acid
CID 6603697
4-Aminocrotonic acid
CID 5310987
(2E)-4-aminobut-2-enoic acid hydrochloride
CID 86767669
4-Amino-2-butenoic acid
CID 2766
4-Aminocrotonic acid hydrobromide
CID 129654876
(E)-4-(2,2,2-trifluoroethoxyamino)but-2-enoic acid
CID 103261632
(Z)-4-(ethylaminooxy)-4-oxobut-2-enoic acid
CID 13431629
(E)-but-2-enedioic acid;prop-2-en-1-amine
CID 21623523
4-[Methoxy(methyl)amino]but-2-enoic acid
CID 57217194
(E)-4-[ethoxy(methyl)amino]but-2-enoic acid
CID 58758672
4-[Ethoxy(methyl)amino]but-2-enoic acid
CID 72414772
But-2-enoic acid;ethanamine
CID 73791824

Frequently Asked Questions

What is the IUPAC name of (E)-4-(ethoxyamino)but-2-enoic acid?
The IUPAC name of (E)-4-(ethoxyamino)but-2-enoic acid (CID 103254497) is (E)-4-(ethoxyamino)but-2-enoic acid.
What is the SMILES notation for (E)-4-(ethoxyamino)but-2-enoic acid?
The canonical SMILES for (E)-4-(ethoxyamino)but-2-enoic acid is CCONC/C=C/C(=O)O.
What is the InChIKey of (E)-4-(ethoxyamino)but-2-enoic acid?
The InChIKey is GLAZYPGAFMUOLC-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-10-7-5-3-4-6(8)9/h3-4,7H,2,5H2,1H3,(H,8,9)/b4-3+.
What are the key properties of (E)-4-(ethoxyamino)but-2-enoic acid?
(E)-4-(ethoxyamino)but-2-enoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(ethoxyamino)but-2-enoic acid is sourced from PubChem (CID 103254497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).