2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen

C9H17NO4 — CID 163302346

IUPAC2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
SMILESC=C(C)C(=O)OCCOC(=O)NCC.[H][H]
InChIInChI=1S/C9H15NO4.H2/c1-4-10-9(12)14-6-5-13-8(11)7(2)3;/h2,4-6H2,1,3H3,(H,10,12);1H
InChIKeyMCQIYOKMYMKMQO-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.10
Rot. Bonds5

About 2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen

2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen (PubChem CID 163302346) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen.

Molecular Properties

Compound Name2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
PubChem CID163302346
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
SMILESC=C(C)C(=O)OCCOC(=O)NCC.[H][H]
InChIInChI=1S/C9H15NO4.H2/c1-4-10-9(12)14-6-5-13-8(11)7(2)3;/h2,4-6H2,1,3H3,(H,10,12);1H
InChIKeyMCQIYOKMYMKMQO-UHFFFAOYSA-N
XLogP1.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
CID 134452927
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid
CID 143847677
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 158424500
ethylcarbamoyl 2-methylprop-2-eneperoxoate
CID 87088549
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen?
The IUPAC name of 2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen (CID 163302346) is 2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen.
What is the SMILES notation for 2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen?
The canonical SMILES for 2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen is C=C(C)C(=O)OCCOC(=O)NCC.[H][H].
What is the InChIKey of 2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen?
The InChIKey is MCQIYOKMYMKMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4.H2/c1-4-10-9(12)14-6-5-13-8(11)7(2)3;/h2,4-6H2,1,3H3,(H,10,12);1H.
What are the key properties of 2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen?
2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen has a molecular weight of 203.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen is sourced from PubChem (CID 163302346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).