4-(ethoxyamino)-3-methylbut-2-enoic acid

C7H13NO3 — CID 103254499

IUPAC4-(ethoxyamino)-3-methylbut-2-enoic acid
SMILESCCONCC(C)=CC(=O)O
InChIInChI=1S/C7H13NO3/c1-3-11-8-5-6(2)4-7(9)10/h4,8H,3,5H2,1-2H3,(H,9,10)
InChIKeyJDORDXSOQQRYMA-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.56
Rot. Bonds5

About 4-(ethoxyamino)-3-methylbut-2-enoic acid

4-(ethoxyamino)-3-methylbut-2-enoic acid (PubChem CID 103254499) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-(ethoxyamino)-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(ethoxyamino)-3-methylbut-2-enoic acid
PubChem CID103254499
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name4-(ethoxyamino)-3-methylbut-2-enoic acid
SMILESCCONCC(C)=CC(=O)O
InChIInChI=1S/C7H13NO3/c1-3-11-8-5-6(2)4-7(9)10/h4,8H,3,5H2,1-2H3,(H,9,10)
InChIKeyJDORDXSOQQRYMA-UHFFFAOYSA-N
XLogP0.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.56
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

2-Methyl-4-(2,2,2-trifluoroethoxyamino)but-2-enoic acid
CID 103261616
3-Methyl-4-(2,2,2-trifluoroethoxyamino)but-2-enoic acid
CID 103261634
CID 54296028
CID 54296028
(Z)-4-amino-3-methylbut-2-enoic acid
CID 55291485
(Z)-4-(iodoamino)-3-methylbut-2-enoic acid
CID 126604610
4-(Iodoamino)-3-methylbut-2-enoic acid
CID 174085302
(Z)-4-(methoxyamino)-2-methylbut-2-enoic acid
CID 103254295
(E)-4-(methoxyamino)but-2-enoic acid
CID 103254307
4-(Methoxyamino)-3-methylbut-2-enoic acid
CID 103254309
(Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid
CID 103254484
(E)-4-(ethoxyamino)but-2-enoic acid
CID 103254497
3-Methyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid
CID 103261394

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxyamino)-3-methylbut-2-enoic acid?
The IUPAC name of 4-(ethoxyamino)-3-methylbut-2-enoic acid (CID 103254499) is 4-(ethoxyamino)-3-methylbut-2-enoic acid.
What is the SMILES notation for 4-(ethoxyamino)-3-methylbut-2-enoic acid?
The canonical SMILES for 4-(ethoxyamino)-3-methylbut-2-enoic acid is CCONCC(C)=CC(=O)O.
What is the InChIKey of 4-(ethoxyamino)-3-methylbut-2-enoic acid?
The InChIKey is JDORDXSOQQRYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-11-8-5-6(2)4-7(9)10/h4,8H,3,5H2,1-2H3,(H,9,10).
What are the key properties of 4-(ethoxyamino)-3-methylbut-2-enoic acid?
4-(ethoxyamino)-3-methylbut-2-enoic acid has a molecular weight of 159.19 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxyamino)-3-methylbut-2-enoic acid is sourced from PubChem (CID 103254499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).