2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate

C13H23NO5 — CID 58252677

IUPAC2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCOCC(C)CC
InChIInChI=1S/C13H23NO5/c1-4-11(3)10-17-8-9-19-13(16)14-6-7-18-12(15)5-2/h5,11H,2,4,6-10H2,1,3H3,(H,14,16)
InChIKeySHAWZCOTPMEPMD-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.50
Rot. Bonds10

About 2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate

2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate (PubChem CID 58252677) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate
PubChem CID58252677
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCOCC(C)CC
InChIInChI=1S/C13H23NO5/c1-4-11(3)10-17-8-9-19-13(16)14-6-7-18-12(15)5-2/h5,11H,2,4,6-10H2,1,3H3,(H,14,16)
InChIKeySHAWZCOTPMEPMD-UHFFFAOYSA-N
XLogP1.50
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.50
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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Related Compounds

2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-[[1-(2-methylbutoxy)-3-sulfooxypropan-2-yl]oxycarbonylamino]ethyl prop-2-enoate
CID 58252686
2-[[1-(2-methylbutoxy)-3-sulfinooxypropan-2-yl]oxycarbonylamino]ethyl prop-2-enoate
CID 58502698
potassium [3-(2-methylbutoxy)-2-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl] sulfite
CID 58502697
2-(3-prop-2-enoyloxypropylcarbamoyloxy)ethyl 2-methylbutanoate
CID 167317155
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
2-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl 2-methylbutanoate
CID 58435878
2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
CID 170150798
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate (CID 58252677) is 2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OCCOCC(C)CC.
What is the InChIKey of 2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is SHAWZCOTPMEPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-4-11(3)10-17-8-9-19-13(16)14-6-7-18-12(15)5-2/h5,11H,2,4,6-10H2,1,3H3,(H,14,16).
What are the key properties of 2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate?
2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 273.33 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 58252677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).