tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C16H27N3O3 — CID 139483180

IUPACtert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C(OCN3C[C@@H]4C(N)[C@@H]4C3)[C@@H]2C1
InChIInChI=1S/C16H27N3O3/c1-16(2,3)22-15(20)19-6-11-12(7-19)14(11)21-8-18-4-9-10(5-18)13(9)17/h9-14H,4-8,17H2,1-3H3/t9-,10+,11-,12+,13?,14?
InChIKeyMOURFFMYATWESV-QHMRNEKISA-N
MW309.41 g/mol
LogP0.71
Rot. Bonds3

About tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 139483180) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID139483180
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C(OCN3C[C@@H]4C(N)[C@@H]4C3)[C@@H]2C1
InChIInChI=1S/C16H27N3O3/c1-16(2,3)22-15(20)19-6-11-12(7-19)14(11)21-8-18-4-9-10(5-18)13(9)17/h9-14H,4-8,17H2,1-3H3/t9-,10+,11-,12+,13?,14?
InChIKeyMOURFFMYATWESV-QHMRNEKISA-N
XLogP0.71
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Related Compounds

ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 164877871
tert-butyl (1S,5R,6S)-6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 97110869
tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate
CID 155890892
(1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 166905468
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (1R,5R)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 125129236
tert-butyl (1S,5S)-6-(methylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98125344
tert-butyl (3S,4S)-3-amino-4-ethoxypyrrolidine-1-carboxylate
CID 27281446
tert-butyl (5R)-6-(ethylaminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175415692
tert-butyl (1S,5R)-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 171363629
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 139483180) is tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1C[C@@H]2C(OCN3C[C@@H]4C(N)[C@@H]4C3)[C@@H]2C1.
What is the InChIKey of tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is MOURFFMYATWESV-QHMRNEKISA-N. The full InChI is InChI=1S/C16H27N3O3/c1-16(2,3)22-15(20)19-6-11-12(7-19)14(11)21-8-18-4-9-10(5-18)13(9)17/h9-14H,4-8,17H2,1-3H3/t9-,10+,11-,12+,13?,14?.
What are the key properties of tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 139483180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).