ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate

C12H20N4O4 — CID 101484978

IUPACethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H20N4O4/c1-5-19-10(17)9-8(14-16-15-9)6-7-13-11(18)20-12(2,3)4/h5-7H2,1-4H3,(H,13,18)(H,14,15,16)
InChIKeyMJYVQYBPUVGZOW-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.05
Rot. Bonds5

About ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate

ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate (PubChem CID 101484978) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate
PubChem CID101484978
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Nameethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H20N4O4/c1-5-19-10(17)9-8(14-16-15-9)6-7-13-11(18)20-12(2,3)4/h5-7H2,1-4H3,(H,13,18)(H,14,15,16)
InChIKeyMJYVQYBPUVGZOW-UHFFFAOYSA-N
XLogP1.05
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-triazole-4-carboxylate
CID 103121222
ethyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2H-triazole-4-carbonyl]amino]acetate
CID 139600010
ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
CID 104952130
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 139721385
diethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2,6-dicarboxylate
CID 67145385
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
ethyl 5-[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2H-triazole-4-carboxylate
CID 169400231
5-ethoxycarbonyl-2H-triazole-4-carboxylic acid
CID 12998518
tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate
CID 102970151
ethyl 5-chloro-2H-triazole-4-carboxylate
CID 6405202
ethyl 5-iodo-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 70296682

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate (CID 101484978) is ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate is CCOC(=O)c1n[nH]nc1CCNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate?
The InChIKey is MJYVQYBPUVGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-5-19-10(17)9-8(14-16-15-9)6-7-13-11(18)20-12(2,3)4/h5-7H2,1-4H3,(H,13,18)(H,14,15,16).
What are the key properties of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate?
ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2H-triazole-4-carboxylate is sourced from PubChem (CID 101484978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).