2-[(methoxyamino)methyl]prop-2-enoic acid

C5H9NO3 — CID 103254326

IUPAC2-[(methoxyamino)methyl]prop-2-enoic acid
SMILESC=C(CNOC)C(=O)O
InChIInChI=1S/C5H9NO3/c1-4(5(7)8)3-6-9-2/h6H,1,3H2,2H3,(H,7,8)
InChIKeyIZKGNCMAIDSYPN-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.22
Rot. Bonds4

About 2-[(methoxyamino)methyl]prop-2-enoic acid

2-[(methoxyamino)methyl]prop-2-enoic acid (PubChem CID 103254326) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-[(methoxyamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(methoxyamino)methyl]prop-2-enoic acid
PubChem CID103254326
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-[(methoxyamino)methyl]prop-2-enoic acid
SMILESC=C(CNOC)C(=O)O
InChIInChI=1S/C5H9NO3/c1-4(5(7)8)3-6-9-2/h6H,1,3H2,2H3,(H,7,8)
InChIKeyIZKGNCMAIDSYPN-UHFFFAOYSA-N
XLogP-0.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.22
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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Frequently Asked Questions

What is the IUPAC name of 2-[(methoxyamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(methoxyamino)methyl]prop-2-enoic acid (CID 103254326) is 2-[(methoxyamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(methoxyamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(methoxyamino)methyl]prop-2-enoic acid is C=C(CNOC)C(=O)O.
What is the InChIKey of 2-[(methoxyamino)methyl]prop-2-enoic acid?
The InChIKey is IZKGNCMAIDSYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(5(7)8)3-6-9-2/h6H,1,3H2,2H3,(H,7,8).
What are the key properties of 2-[(methoxyamino)methyl]prop-2-enoic acid?
2-[(methoxyamino)methyl]prop-2-enoic acid has a molecular weight of 131.13 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methoxyamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 103254326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).