2-(methoxycarbonylamino)ethyl prop-2-enoate

C7H11NO4 — CID 15208778

IUPAC2-(methoxycarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC
InChIInChI=1S/C7H11NO4/c1-3-6(9)12-5-4-8-7(10)11-2/h3H,1,4-5H2,2H3,(H,8,10)
InChIKeyGYAHZPHTBHATHC-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.07
Rot. Bonds4

About 2-(methoxycarbonylamino)ethyl prop-2-enoate

2-(methoxycarbonylamino)ethyl prop-2-enoate (PubChem CID 15208778) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(methoxycarbonylamino)ethyl prop-2-enoate
PubChem CID15208778
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-(methoxycarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC
InChIInChI=1S/C7H11NO4/c1-3-6(9)12-5-4-8-7(10)11-2/h3H,1,4-5H2,2H3,(H,8,10)
InChIKeyGYAHZPHTBHATHC-UHFFFAOYSA-N
XLogP0.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(methoxycarbonylamino)ethyl prop-2-enoate (CID 15208778) is 2-(methoxycarbonylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(methoxycarbonylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(methoxycarbonylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OC.
What is the InChIKey of 2-(methoxycarbonylamino)ethyl prop-2-enoate?
The InChIKey is GYAHZPHTBHATHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-6(9)12-5-4-8-7(10)11-2/h3H,1,4-5H2,2H3,(H,8,10).
What are the key properties of 2-(methoxycarbonylamino)ethyl prop-2-enoate?
2-(methoxycarbonylamino)ethyl prop-2-enoate has a molecular weight of 173.17 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)ethyl prop-2-enoate is sourced from PubChem (CID 15208778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).