2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate

C10H15FN2O5 — CID 89417478

IUPAC2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCNC(=O)CF
InChIInChI=1S/C10H15FN2O5/c1-2-9(15)17-5-4-13-10(16)18-6-3-12-8(14)7-11/h2H,1,3-7H2,(H,12,14)(H,13,16)
InChIKeyAJIBVJVNQFNXGK-UHFFFAOYSA-N
MW262.24 g/mol
LogP-0.47
Rot. Bonds8

About 2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate

2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate (PubChem CID 89417478) has the molecular formula C10H15FN2O5 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate
PubChem CID89417478
Molecular FormulaC10H15FN2O5
Molecular Weight262.24 g/mol
Exact Mass262.10
IUPAC Name2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCNC(=O)CF
InChIInChI=1S/C10H15FN2O5/c1-2-9(15)17-5-4-13-10(16)18-6-3-12-8(14)7-11/h2H,1,3-7H2,(H,12,14)(H,13,16)
InChIKeyAJIBVJVNQFNXGK-UHFFFAOYSA-N
XLogP-0.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
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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Related Compounds

N-acryloyloxyethylacrylamide
CID 15084870
2-Acetamidoethyl prop-2-enoate
CID 23089005
2-Acryloyloxyethyl urethane
CID 87964813
2-Propenoic acid, 2-[[(1-methylethoxy)carbonyl]amino]ethyl ester
CID 19799335
2-[2-[(2,2,2-Trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate
CID 88879039
2-(4,4,4-Trifluorobutoxycarbonylamino)ethyl prop-2-enoate
CID 89987998
2-[2-[1,1-Difluoroethoxy-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]amino]ethoxycarbonylamino]ethyl prop-2-enoate
CID 117777107
2-[2-(1,1-Difluoroethoxyamino)ethoxycarbonylamino]ethyl prop-2-enoate
CID 117777108
2-(Fluoromethoxycarbonylamino)ethyl prop-2-enoate
CID 117784856
2-(2-Fluoroethoxycarbonylamino)ethyl prop-2-enoate
CID 117784857
2-[[2-[(2,2-Difluoroacetyl)amino]-2-methyl-3-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]carbonylamino]ethyl prop-2-enoate
CID 122591398
4-O-fluoro 1-O-[2-(prop-2-enoylamino)ethyl] (E)-but-2-enedioate
CID 145264547

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate (CID 89417478) is 2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OCCNC(=O)CF.
What is the InChIKey of 2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is AJIBVJVNQFNXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O5/c1-2-9(15)17-5-4-13-10(16)18-6-3-12-8(14)7-11/h2H,1,3-7H2,(H,12,14)(H,13,16).
What are the key properties of 2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate?
2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 262.24 g/mol, XLogP of -0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 89417478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).