(Z)-4-(methoxyamino)-2-methylbut-2-enoic acid

C6H11NO3 — CID 103254295

IUPAC(Z)-4-(methoxyamino)-2-methylbut-2-enoic acid
SMILESCONC/C=C(/C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-5(6(8)9)3-4-7-10-2/h3,7H,4H2,1-2H3,(H,8,9)/b5-3-
InChIKeyBNYKWBJWFMYUOQ-HYXAFXHYSA-N
MW145.16 g/mol
LogP0.17
Rot. Bonds4

About (Z)-4-(methoxyamino)-2-methylbut-2-enoic acid

(Z)-4-(methoxyamino)-2-methylbut-2-enoic acid (PubChem CID 103254295) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (Z)-4-(methoxyamino)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(methoxyamino)-2-methylbut-2-enoic acid
PubChem CID103254295
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(Z)-4-(methoxyamino)-2-methylbut-2-enoic acid
SMILESCONC/C=C(/C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-5(6(8)9)3-4-7-10-2/h3,7H,4H2,1-2H3,(H,8,9)/b5-3-
InChIKeyBNYKWBJWFMYUOQ-HYXAFXHYSA-N
XLogP0.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

(Z)-4-amino-2-(fluoromethyl)but-2-enoic acid
CID 44378095
4-Amino-2-methylbut-2-enoic acid
CID 10103145
CID 54336498
CID 54336498
2-Methyl-4-(2,2,2-trifluoroethoxyamino)but-2-enoic acid
CID 103261616
(E)-4-amino-2-(fluoromethyl)but-2-enoic acid
CID 133616417
2-[[(3-Carboxy-2-methylprop-2-enoyl)oxyamino]methyl]but-2-enedioic acid
CID 57056470
3-Methyl-4-oxo-4-(propan-2-ylamino)oxybut-2-enoic acid
CID 57085682
N-ethylhydroxylamine;2-methylprop-2-enoic acid
CID 87092788
Ethyl(oxido)azanium;2-methylprop-2-enoic acid
CID 87092789
(E)-2-methyl-4-(methylamino)but-2-enoic acid
CID 87093602
2-Methylprop-2-enoic acid;oxido(prop-2-enyl)azanium
CID 87235544
ethylamino (Z)-2-methylbut-2-enoate
CID 87544523

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(methoxyamino)-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-(methoxyamino)-2-methylbut-2-enoic acid (CID 103254295) is (Z)-4-(methoxyamino)-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-(methoxyamino)-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-(methoxyamino)-2-methylbut-2-enoic acid is CONC/C=C(/C)C(=O)O.
What is the InChIKey of (Z)-4-(methoxyamino)-2-methylbut-2-enoic acid?
The InChIKey is BNYKWBJWFMYUOQ-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(6(8)9)3-4-7-10-2/h3,7H,4H2,1-2H3,(H,8,9)/b5-3-.
What are the key properties of (Z)-4-(methoxyamino)-2-methylbut-2-enoic acid?
(Z)-4-(methoxyamino)-2-methylbut-2-enoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(methoxyamino)-2-methylbut-2-enoic acid is sourced from PubChem (CID 103254295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).