2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate

C13H22N2O5 — CID 87085913

IUPAC2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O5/c1-9(2)11(17)19-7-6-14-10(16)8-15-12(18)20-13(3,4)5/h1,6-8H2,2-5H3,(H,14,16)(H,15,18)
InChIKeyMYRJCAOOGNDNPP-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.75
Rot. Bonds6

About 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate

2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 87085913) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID87085913
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O5/c1-9(2)11(17)19-7-6-14-10(16)8-15-12(18)20-13(3,4)5/h1,6-8H2,2-5H3,(H,14,16)(H,15,18)
InChIKeyMYRJCAOOGNDNPP-UHFFFAOYSA-N
XLogP0.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.75
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

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CID 134855941
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CID 164668958
methyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]prop-2-enoate
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2-(Propoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 20722178
2-[2-[2,2-Dihydroxyethyl(methyl)amino]ethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]-2-oxoethyl]amino]acetic acid
CID 21335615
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate (CID 87085913) is 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is MYRJCAOOGNDNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9(2)11(17)19-7-6-14-10(16)8-15-12(18)20-13(3,4)5/h1,6-8H2,2-5H3,(H,14,16)(H,15,18).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate?
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 286.33 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87085913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).