2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate

C13H24N2O4 — CID 165000020

IUPAC2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC(CCC)CNC
InChIInChI=1S/C13H24N2O4/c1-5-6-11(9-14-4)19-13(17)15-7-8-18-12(16)10(2)3/h11,14H,2,5-9H2,1,3-4H3,(H,15,17)
InChIKeyLIUINYVQYGMLOT-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.22
Rot. Bonds9

About 2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 165000020) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID165000020
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC(CCC)CNC
InChIInChI=1S/C13H24N2O4/c1-5-6-11(9-14-4)19-13(17)15-7-8-18-12(16)10(2)3/h11,14H,2,5-9H2,1,3-4H3,(H,15,17)
InChIKeyLIUINYVQYGMLOT-UHFFFAOYSA-N
XLogP1.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.22
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-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)
CID 160716553
2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate
CID 146334641
2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58975887
2-(2,2,4-trimethylpentan-3-yloxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 166881112
2-[[1-(2-fluoroethoxy)-3-(fluoromethoxy)propan-2-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 88857837
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
2-(2,2,5,5-tetramethylhexan-3-yloxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89000267
2-[(3-acetyloxy-5-hydroxyheptoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 169077980
2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate
CID 166937691
butan-2-ol;2-(5-hydroxyhexan-3-yloxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate
CID 159841339
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-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 165000020) is 2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OC(CCC)CNC.
What is the InChIKey of 2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is LIUINYVQYGMLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-6-11(9-14-4)19-13(17)15-7-8-18-12(16)10(2)3/h11,14H,2,5-9H2,1,3-4H3,(H,15,17).
What are the key properties of 2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 272.34 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 165000020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).