2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate

C10H13NO5 — CID 59721631

IUPAC2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)COC(=O)C=C
InChIInChI=1S/C10H13NO5/c1-3-9(13)15-6-5-11-8(12)7-16-10(14)4-2/h3-4H,1-2,5-7H2,(H,11,12)
InChIKeyCEEBBPANIIOKRF-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.44
Rot. Bonds7

About 2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate

2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate (PubChem CID 59721631) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate
PubChem CID59721631
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)COC(=O)C=C
InChIInChI=1S/C10H13NO5/c1-3-9(13)15-6-5-11-8(12)7-16-10(14)4-2/h3-4H,1-2,5-7H2,(H,11,12)
InChIKeyCEEBBPANIIOKRF-UHFFFAOYSA-N
XLogP-0.44
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate?
The IUPAC name of 2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate (CID 59721631) is 2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)COC(=O)C=C.
What is the InChIKey of 2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate?
The InChIKey is CEEBBPANIIOKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-3-9(13)15-6-5-11-8(12)7-16-10(14)4-2/h3-4H,1-2,5-7H2,(H,11,12).
What are the key properties of 2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate?
2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate has a molecular weight of 227.22 g/mol, XLogP of -0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-prop-2-enoyloxyacetyl)amino]ethyl prop-2-enoate is sourced from PubChem (CID 59721631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).