2-(methoxyamino)prop-2-enoic acid

C4H7NO3 — CID 56613319

IUPAC2-(methoxyamino)prop-2-enoic acid
SMILESC=C(NOC)C(=O)O
InChIInChI=1S/C4H7NO3/c1-3(4(6)7)5-8-2/h5H,1H2,2H3,(H,6,7)
InChIKeyUCOCMMOMXDYSAF-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.26
Rot. Bonds3

About 2-(methoxyamino)prop-2-enoic acid

2-(methoxyamino)prop-2-enoic acid (PubChem CID 56613319) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 2-(methoxyamino)prop-2-enoic acid.

Molecular Properties

Compound Name2-(methoxyamino)prop-2-enoic acid
PubChem CID56613319
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2-(methoxyamino)prop-2-enoic acid
SMILESC=C(NOC)C(=O)O
InChIInChI=1S/C4H7NO3/c1-3(4(6)7)5-8-2/h5H,1H2,2H3,(H,6,7)
InChIKeyUCOCMMOMXDYSAF-UHFFFAOYSA-N
XLogP-0.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.26
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

methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
2-(methoxyamino)-4-nitrosopent-1-en-3-one
CID 57063542
2-methoxycarbonyl-3-methylbut-3-enoic acid
CID 14024770
hydron;2-methoxycarbonylprop-2-enoic acid
CID 174487100
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
CID 123399689
CID 123399689
N-methoxy-4-methylpent-4-enamide
CID 135084610
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567
2-(ethoxycarbonylamino)prop-2-enoic acid;polane
CID 173396232
(Z)-N-methoxy-2-methylidenepent-3-enamide
CID 167258609
acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
CID 165093716
2-methoxyprop-2-enoic acid;nitric acid
CID 174788096

Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)prop-2-enoic acid?
The IUPAC name of 2-(methoxyamino)prop-2-enoic acid (CID 56613319) is 2-(methoxyamino)prop-2-enoic acid.
What is the SMILES notation for 2-(methoxyamino)prop-2-enoic acid?
The canonical SMILES for 2-(methoxyamino)prop-2-enoic acid is C=C(NOC)C(=O)O.
What is the InChIKey of 2-(methoxyamino)prop-2-enoic acid?
The InChIKey is UCOCMMOMXDYSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-3(4(6)7)5-8-2/h5H,1H2,2H3,(H,6,7).
What are the key properties of 2-(methoxyamino)prop-2-enoic acid?
2-(methoxyamino)prop-2-enoic acid has a molecular weight of 117.10 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)prop-2-enoic acid is sourced from PubChem (CID 56613319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).