methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen

C15H28N2O4 — CID 163375136

IUPACmethyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen
SMILESCOC(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2.[H][H]
InChIInChI=1S/C15H26N2O4.H2/c1-15(2,3)21-14(19)16-10-7-11-5-6-12(8-10)17(11)9-13(18)20-4;/h10-12H,5-9H2,1-4H3,(H,16,19);1H/t10?,11-,12+;
InChIKeyBYULZCKPVJRSHI-YSEZWWCESA-N
MW300.40 g/mol
LogP1.93
Rot. Bonds3

About methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen

methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen (PubChem CID 163375136) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen.

Molecular Properties

Compound Namemethyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen
PubChem CID163375136
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen
SMILESCOC(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2.[H][H]
InChIInChI=1S/C15H26N2O4.H2/c1-15(2,3)21-14(19)16-10-7-11-5-6-12(8-10)17(11)9-13(18)20-4;/h10-12H,5-9H2,1-4H3,(H,16,19);1H/t10?,11-,12+;
InChIKeyBYULZCKPVJRSHI-YSEZWWCESA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen with MolForge

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Related Compounds

tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-[(1S,5R)-8-(3-methyliminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 167079450
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 146394343
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 167388554
[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate
CID 54317459
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen?
The IUPAC name of methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen (CID 163375136) is methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen.
What is the SMILES notation for methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen?
The canonical SMILES for methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen is COC(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2.[H][H].
What is the InChIKey of methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen?
The InChIKey is BYULZCKPVJRSHI-YSEZWWCESA-N. The full InChI is InChI=1S/C15H26N2O4.H2/c1-15(2,3)21-14(19)16-10-7-11-5-6-12(8-10)17(11)9-13(18)20-4;/h10-12H,5-9H2,1-4H3,(H,16,19);1H/t10?,11-,12+;.
What are the key properties of methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen?
methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen has a molecular weight of 300.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen is sourced from PubChem (CID 163375136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).