2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate

C13H24N2O4 — CID 88900855

IUPAC2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)NCCCCCCN
InChIInChI=1S/C13H24N2O4/c1-11(2)12(16)18-9-10-19-13(17)15-8-6-4-3-5-7-14/h1,3-10,14H2,2H3,(H,15,17)
InChIKeyAFTLQBUFNMTJCL-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.35
Rot. Bonds10

About 2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate

2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 88900855) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
PubChem CID88900855
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)NCCCCCCN
InChIInChI=1S/C13H24N2O4/c1-11(2)12(16)18-9-10-19-13(17)15-8-6-4-3-5-7-14/h1,3-10,14H2,2H3,(H,15,17)
InChIKeyAFTLQBUFNMTJCL-UHFFFAOYSA-N
XLogP1.35
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
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-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid
CID 143847677
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate
CID 118143712
2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 129193329
2-[4-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]butylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 102267142
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
2-(6-aminohexylcarbamoyloxy)ethyl formate
CID 163268438
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
CID 163302346

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate (CID 88900855) is 2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)NCCCCCCN.
What is the InChIKey of 2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is AFTLQBUFNMTJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-11(2)12(16)18-9-10-19-13(17)15-8-6-4-3-5-7-14/h1,3-10,14H2,2H3,(H,15,17).
What are the key properties of 2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate?
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 272.34 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88900855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).