3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid

C11H18N2O6 — CID 149304410

IUPAC3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
SMILESC=C(C)C(=O)OCCOC(=O)NCCCNC(=O)O
InChIInChI=1S/C11H18N2O6/c1-8(2)9(14)18-6-7-19-11(17)13-5-3-4-12-10(15)16/h12H,1,3-7H2,2H3,(H,13,17)(H,15,16)
InChIKeyXXJMKCOZSWDKLY-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.49
Rot. Bonds8

About 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid

3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid (PubChem CID 149304410) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid.

Molecular Properties

Compound Name3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
PubChem CID149304410
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
SMILESC=C(C)C(=O)OCCOC(=O)NCCCNC(=O)O
InChIInChI=1S/C11H18N2O6/c1-8(2)9(14)18-6-7-19-11(17)13-5-3-4-12-10(15)16/h12H,1,3-7H2,2H3,(H,13,17)(H,15,16)
InChIKeyXXJMKCOZSWDKLY-UHFFFAOYSA-N
XLogP0.49
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
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

6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid
CID 143847677
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
3-(propoxycarbonylamino)propylcarbamic acid
CID 139823184
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 129193329
2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
CID 163302346
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
3-acetamidopropyl 2-methylprop-2-enoate
CID 15055173
3-[2-[2-[3-(carboxyamino)propoxycarbonylamino]ethoxy]ethylcarbamoyloxy]propylcarbamic acid
CID 19751998

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid?
The IUPAC name of 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid (CID 149304410) is 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid.
What is the SMILES notation for 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid?
The canonical SMILES for 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid is C=C(C)C(=O)OCCOC(=O)NCCCNC(=O)O.
What is the InChIKey of 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid?
The InChIKey is XXJMKCOZSWDKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-8(2)9(14)18-6-7-19-11(17)13-5-3-4-12-10(15)16/h12H,1,3-7H2,2H3,(H,13,17)(H,15,16).
What are the key properties of 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid?
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid has a molecular weight of 274.27 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid is sourced from PubChem (CID 149304410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).