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

C6H11NO3 — CID 103254309

IUPAC4-(methoxyamino)-3-methylbut-2-enoic acid
SMILESCONCC(C)=CC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(3-6(8)9)4-7-10-2/h3,7H,4H2,1-2H3,(H,8,9)
InChIKeyVWTWAJJJEYHXSB-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.17
Rot. Bonds4

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

4-(methoxyamino)-3-methylbut-2-enoic acid (PubChem CID 103254309) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-(methoxyamino)-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(methoxyamino)-3-methylbut-2-enoic acid
PubChem CID103254309
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-(methoxyamino)-3-methylbut-2-enoic acid
SMILESCONCC(C)=CC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(3-6(8)9)4-7-10-2/h3,7H,4H2,1-2H3,(H,8,9)
InChIKeyVWTWAJJJEYHXSB-UHFFFAOYSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
(Z)-4-(ethoxyamino)-2-methylbut-2-enoic acid
CID 103254484
(E)-4-(ethoxyamino)but-2-enoic acid
CID 103254497
4-(Ethoxyamino)-3-methylbut-2-enoic acid
CID 103254499
3-Methyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid
CID 103261394
(Z)-2-methyl-4-(2-methylpropoxyamino)but-2-enoic acid
CID 103261559

Frequently Asked Questions

What is the IUPAC name of 4-(methoxyamino)-3-methylbut-2-enoic acid?
The IUPAC name of 4-(methoxyamino)-3-methylbut-2-enoic acid (CID 103254309) is 4-(methoxyamino)-3-methylbut-2-enoic acid.
What is the SMILES notation for 4-(methoxyamino)-3-methylbut-2-enoic acid?
The canonical SMILES for 4-(methoxyamino)-3-methylbut-2-enoic acid is CONCC(C)=CC(=O)O.
What is the InChIKey of 4-(methoxyamino)-3-methylbut-2-enoic acid?
The InChIKey is VWTWAJJJEYHXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(3-6(8)9)4-7-10-2/h3,7H,4H2,1-2H3,(H,8,9).
What are the key properties of 4-(methoxyamino)-3-methylbut-2-enoic acid?
4-(methoxyamino)-3-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 4-(methoxyamino)-3-methylbut-2-enoic acid is sourced from PubChem (CID 103254309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).