4-[methoxy(methyl)amino]but-2-enoic acid

C6H11NO3 — CID 57217194

IUPAC4-[methoxy(methyl)amino]but-2-enoic acid
SMILESCON(C)CC=CC(=O)O
InChIInChI=1S/C6H11NO3/c1-7(10-2)5-3-4-6(8)9/h3-4H,5H2,1-2H3,(H,8,9)
InChIKeyDLDCSLGOTGLHDY-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.12
Rot. Bonds4

About 4-[methoxy(methyl)amino]but-2-enoic acid

4-[methoxy(methyl)amino]but-2-enoic acid (PubChem CID 57217194) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-[methoxy(methyl)amino]but-2-enoic acid.

Molecular Properties

Compound Name4-[methoxy(methyl)amino]but-2-enoic acid
PubChem CID57217194
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-[methoxy(methyl)amino]but-2-enoic acid
SMILESCON(C)CC=CC(=O)O
InChIInChI=1S/C6H11NO3/c1-7(10-2)5-3-4-6(8)9/h3-4H,5H2,1-2H3,(H,8,9)
InChIKeyDLDCSLGOTGLHDY-UHFFFAOYSA-N
XLogP0.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)amino]but-2-enoic acid?
The IUPAC name of 4-[methoxy(methyl)amino]but-2-enoic acid (CID 57217194) is 4-[methoxy(methyl)amino]but-2-enoic acid.
What is the SMILES notation for 4-[methoxy(methyl)amino]but-2-enoic acid?
The canonical SMILES for 4-[methoxy(methyl)amino]but-2-enoic acid is CON(C)CC=CC(=O)O.
What is the InChIKey of 4-[methoxy(methyl)amino]but-2-enoic acid?
The InChIKey is DLDCSLGOTGLHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7(10-2)5-3-4-6(8)9/h3-4H,5H2,1-2H3,(H,8,9).
What are the key properties of 4-[methoxy(methyl)amino]but-2-enoic acid?
4-[methoxy(methyl)amino]but-2-enoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)amino]but-2-enoic acid is sourced from PubChem (CID 57217194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).