2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate

C14H23NO6 — CID 165341124

IUPAC2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC1COC(C)(CC)O1
InChIInChI=1S/C14H23NO6/c1-5-14(4)20-9-11(21-14)8-19-13(17)15-6-7-18-12(16)10(2)3/h11H,2,5-9H2,1,3-4H3,(H,15,17)
InChIKeyPELQIOPCBWJRIE-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.37
Rot. Bonds7

About 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 165341124) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID165341124
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC1COC(C)(CC)O1
InChIInChI=1S/C14H23NO6/c1-5-14(4)20-9-11(21-14)8-19-13(17)15-6-7-18-12(16)10(2)3/h11H,2,5-9H2,1,3-4H3,(H,15,17)
InChIKeyPELQIOPCBWJRIE-UHFFFAOYSA-N
XLogP1.37
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

bis[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl] butanedioate
CID 139293602
2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 126547486
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
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
formamido 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate
CID 87347032
2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118257839
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-[[3,3,5-trimethyl-5-[(oxiran-2-ylmethoxycarbonylamino)methyl]cyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 89121059
2-[[4,10-dimethyl-10-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxymethyl]-4-tricyclo[6.3.1.02,7]dodecanyl]methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 123650160
2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 158424500

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 165341124) is 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCC1COC(C)(CC)O1.
What is the InChIKey of 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is PELQIOPCBWJRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-5-14(4)20-9-11(21-14)8-19-13(17)15-6-7-18-12(16)10(2)3/h11H,2,5-9H2,1,3-4H3,(H,15,17).
What are the key properties of 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 301.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 165341124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).