(2-methoxyacetyl)-prop-2-enylcarbamic acid

C7H11NO4 — CID 87887700

IUPAC(2-methoxyacetyl)-prop-2-enylcarbamic acid
SMILESC=CCN(C(=O)O)C(=O)COC
InChIInChI=1S/C7H11NO4/c1-3-4-8(7(10)11)6(9)5-12-2/h3H,1,4-5H2,2H3,(H,10,11)
InChIKeyZUTKHXDMSODQQN-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.33
Rot. Bonds4

About (2-methoxyacetyl)-prop-2-enylcarbamic acid

(2-methoxyacetyl)-prop-2-enylcarbamic acid (PubChem CID 87887700) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2-methoxyacetyl)-prop-2-enylcarbamic acid.

Molecular Properties

Compound Name(2-methoxyacetyl)-prop-2-enylcarbamic acid
PubChem CID87887700
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2-methoxyacetyl)-prop-2-enylcarbamic acid
SMILESC=CCN(C(=O)O)C(=O)COC
InChIInChI=1S/C7H11NO4/c1-3-4-8(7(10)11)6(9)5-12-2/h3H,1,4-5H2,2H3,(H,10,11)
InChIKeyZUTKHXDMSODQQN-UHFFFAOYSA-N
XLogP0.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyacetyl)-prop-2-enylcarbamic acid?
The IUPAC name of (2-methoxyacetyl)-prop-2-enylcarbamic acid (CID 87887700) is (2-methoxyacetyl)-prop-2-enylcarbamic acid.
What is the SMILES notation for (2-methoxyacetyl)-prop-2-enylcarbamic acid?
The canonical SMILES for (2-methoxyacetyl)-prop-2-enylcarbamic acid is C=CCN(C(=O)O)C(=O)COC.
What is the InChIKey of (2-methoxyacetyl)-prop-2-enylcarbamic acid?
The InChIKey is ZUTKHXDMSODQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-4-8(7(10)11)6(9)5-12-2/h3H,1,4-5H2,2H3,(H,10,11).
What are the key properties of (2-methoxyacetyl)-prop-2-enylcarbamic acid?
(2-methoxyacetyl)-prop-2-enylcarbamic acid has a molecular weight of 173.17 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyacetyl)-prop-2-enylcarbamic acid is sourced from PubChem (CID 87887700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).