6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid

C13H21NO6 — CID 143847677

IUPAC6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid
SMILESC=C(C)C(=O)OCCOC(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H21NO6/c1-10(2)12(17)19-8-9-20-13(18)14-7-5-3-4-6-11(15)16/h1,3-9H2,2H3,(H,14,18)(H,15,16)
InChIKeyYJGYUODUBKUUQP-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.48
Rot. Bonds10

About 6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid

6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid (PubChem CID 143847677) has the molecular formula C13H21NO6 and a molecular weight of 287.31 g/mol. Its IUPAC name is 6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid
PubChem CID143847677
Molecular FormulaC13H21NO6
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid
SMILESC=C(C)C(=O)OCCOC(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H21NO6/c1-10(2)12(17)19-8-9-20-13(18)14-7-5-3-4-6-11(15)16/h1,3-9H2,2H3,(H,14,18)(H,15,16)
InChIKeyYJGYUODUBKUUQP-UHFFFAOYSA-N
XLogP1.48
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.48
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
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410
10-[3-(2-methylprop-2-enoyloxy)propylamino]-10-oxodecanoic acid
CID 118143869
8-[3-(2-methylprop-2-enoyloxy)propylamino]-8-oxooctanoic acid
CID 118143504
9-(2-methylprop-2-enoyloxy)nonanoic acid
CID 58887171
14-(2-methylprop-2-enoyloxy)tetradecanoic acid
CID 139687613
6-(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 170252830
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
6-[8-(2-methylprop-2-enoyloxy)octoxy]-6-oxohexanoic acid
CID 155658741
2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
CID 163302346

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid?
The IUPAC name of 6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid (CID 143847677) is 6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid.
What is the SMILES notation for 6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid?
The canonical SMILES for 6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid is C=C(C)C(=O)OCCOC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid?
The InChIKey is YJGYUODUBKUUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO6/c1-10(2)12(17)19-8-9-20-13(18)14-7-5-3-4-6-11(15)16/h1,3-9H2,2H3,(H,14,18)(H,15,16).
What are the key properties of 6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid?
6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid has a molecular weight of 287.31 g/mol, XLogP of 1.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid is sourced from PubChem (CID 143847677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).