methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate

C18H34N2O4 — CID 113242246

IUPACmethyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
SMILESCCC(C)C(NC1CCCC1CNC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C18H34N2O4/c1-7-12(2)15(16(21)23-6)20-14-10-8-9-13(14)11-19-17(22)24-18(3,4)5/h12-15,20H,7-11H2,1-6H3,(H,19,22)
InChIKeyLVTBOFHLGRITBN-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.86
Rot. Bonds7

About methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate

methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate (PubChem CID 113242246) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
PubChem CID113242246
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Namemethyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
SMILESCCC(C)C(NC1CCCC1CNC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C18H34N2O4/c1-7-12(2)15(16(21)23-6)20-14-10-8-9-13(14)11-19-17(22)24-18(3,4)5/h12-15,20H,7-11H2,1-6H3,(H,19,22)
InChIKeyLVTBOFHLGRITBN-UHFFFAOYSA-N
XLogP2.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate with MolForge

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Related Compounds

tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 115677358
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
CID 103949542
tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
CID 103695804
tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
CID 103695770
tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
CID 103695809
tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
CID 103695763
tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate
CID 104867074
tert-butyl N-[[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 113242256
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
CID 103695449
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate (CID 113242246) is methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate is CCC(C)C(NC1CCCC1CNC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate?
The InChIKey is LVTBOFHLGRITBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-7-12(2)15(16(21)23-6)20-14-10-8-9-13(14)11-19-17(22)24-18(3,4)5/h12-15,20H,7-11H2,1-6H3,(H,19,22).
What are the key properties of methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate?
methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate has a molecular weight of 342.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate is sourced from PubChem (CID 113242246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).