methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate

C16H24N2O5 — CID 107239036

IUPACmethyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC2CC(NC(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)18-11-7-10(8-11)17-9-12-5-6-13(22-12)14(19)21-4/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,20)
InChIKeyUAYQVWSIQNXMBI-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.21
Rot. Bonds5

About methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate

methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate (PubChem CID 107239036) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate
PubChem CID107239036
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Namemethyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC2CC(NC(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)18-11-7-10(8-11)17-9-12-5-6-13(22-12)14(19)21-4/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,20)
InChIKeyUAYQVWSIQNXMBI-UHFFFAOYSA-N
XLogP2.21
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylic acid
CID 107239085
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
CID 107238985
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975
methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
CID 62396348
methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate
CID 65471978
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 64743370
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122042779
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
CID 106415109
tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate
CID 107238877

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate (CID 107239036) is methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC2CC(NC(=O)OC(C)(C)C)C2)o1.
What is the InChIKey of methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate?
The InChIKey is UAYQVWSIQNXMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)18-11-7-10(8-11)17-9-12-5-6-13(22-12)14(19)21-4/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,20).
What are the key properties of methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate?
methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 107239036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).