methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate

C14H23NO6 — CID 177292658

IUPACmethyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate
SMILESCOC(=O)C1CC2(C[C@H]1NC(=O)OC(C)(C)C)OCCO2
InChIInChI=1S/C14H23NO6/c1-13(2,3)21-12(17)15-10-8-14(19-5-6-20-14)7-9(10)11(16)18-4/h9-10H,5-8H2,1-4H3,(H,15,17)/t9?,10-/m1/s1
InChIKeyHQLRKOUIXYVKJX-QVDQXJPCSA-N
MW301.34 g/mol
LogP1.21
Rot. Bonds2

About methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate

methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate (PubChem CID 177292658) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Namemethyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate
PubChem CID177292658
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Namemethyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate
SMILESCOC(=O)C1CC2(C[C@H]1NC(=O)OC(C)(C)C)OCCO2
InChIInChI=1S/C14H23NO6/c1-13(2,3)21-12(17)15-10-8-14(19-5-6-20-14)7-9(10)11(16)18-4/h9-10H,5-8H2,1-4H3,(H,15,17)/t9?,10-/m1/s1
InChIKeyHQLRKOUIXYVKJX-QVDQXJPCSA-N
XLogP1.21
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate with MolForge

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Related Compounds

methyl (1R,6R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylate
CID 11345843
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
trans-methyl (1S,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 124527040
cis-methyl (1S,2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 57132586
cis-trimethyl (1S,2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1,2,4-tricarboxylate
CID 10618437
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
(1R,2S,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;methyl (1R,2S,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 157480163
methyl (1S,2R,3S)-4,4-difluoro-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 170566557
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
methyl (1S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 2734526

Frequently Asked Questions

What is the IUPAC name of methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate (CID 177292658) is methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate is COC(=O)C1CC2(C[C@H]1NC(=O)OC(C)(C)C)OCCO2.
What is the InChIKey of methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate?
The InChIKey is HQLRKOUIXYVKJX-QVDQXJPCSA-N. The full InChI is InChI=1S/C14H23NO6/c1-13(2,3)21-12(17)15-10-8-14(19-5-6-20-14)7-9(10)11(16)18-4/h9-10H,5-8H2,1-4H3,(H,15,17)/t9?,10-/m1/s1.
What are the key properties of methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate?
methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 177292658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).