2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate

C11H15NO6 — CID 118535175

IUPAC2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC1CCOC1=O
InChIInChI=1S/C11H15NO6/c1-7(2)9(13)17-6-4-12-11(15)18-8-3-5-16-10(8)14/h8H,1,3-6H2,2H3,(H,12,15)
InChIKeyHKGVVHBZHQLCCR-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.15
Rot. Bonds5

About 2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 118535175) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID118535175
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC1CCOC1=O
InChIInChI=1S/C11H15NO6/c1-7(2)9(13)17-6-4-12-11(15)18-8-3-5-16-10(8)14/h8H,1,3-6H2,2H3,(H,12,15)
InChIKeyHKGVVHBZHQLCCR-UHFFFAOYSA-N
XLogP0.15
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 20643781
[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
CID 20643847
2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate
CID 20643849
ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 143365262
2-[[(3R,3aR,6R,6aR)-6-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 70169084
2-[[(3aR,6R,6aR)-6-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 90287202
3-prop-1-en-2-yloxyoxolan-2-one
CID 145146780
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate
CID 70669312
2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate
CID 20643852
2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 126547486
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 118535175) is 2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OC1CCOC1=O.
What is the InChIKey of 2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is HKGVVHBZHQLCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-7(2)9(13)17-6-4-12-11(15)18-8-3-5-16-10(8)14/h8H,1,3-6H2,2H3,(H,12,15).
What are the key properties of 2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 257.24 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118535175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).