tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C20H33N3O3 — CID 124725813

IUPACtert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN2CCC(NC(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H33N3O3/c1-19(2,3)26-18(25)23-11-15-10-20(15,13-23)12-22-8-6-16(7-9-22)21-17(24)14-4-5-14/h14-16H,4-13H2,1-3H3,(H,21,24)/t15-,20-/m0/s1
InChIKeyBMLDIMCRLHUMDP-YWZLYKJASA-N
MW363.50 g/mol
LogP2.23
Rot. Bonds4

About tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 124725813) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID124725813
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Nametert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN2CCC(NC(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H33N3O3/c1-19(2,3)26-18(25)23-11-15-10-20(15,13-23)12-22-8-6-16(7-9-22)21-17(24)14-4-5-14/h14-16H,4-13H2,1-3H3,(H,21,24)/t15-,20-/m0/s1
InChIKeyBMLDIMCRLHUMDP-YWZLYKJASA-N
XLogP2.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[(4-cycloheptylcyclohexanecarbonyl)amino]pyrrolidine-1-carboxylate
CID 139459619
tert-butyl (1R,6R)-6-(aminomethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 98123514
tert-butyl 7a-(hydroxymethyl)-5-methyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 172643087
tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl (4R,5S)-4-[[1-(2,2-difluoroethyl)piperidin-4-yl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 96504275
tert-butyl 1-(2-aminoethyl)-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 155821613
tert-butyl (1S,5R)-1-[[cyanomethyl(ethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 124884963
tert-butyl (1S,5S)-1-[[cyanomethyl(ethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 124884959
tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51930968
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
CID 59494690
tert-butyl (3aS,6aS)-3a-(cyclopentylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 119044067

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 124725813) is tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN2CCC(NC(=O)C3CC3)CC2)C1.
What is the InChIKey of tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is BMLDIMCRLHUMDP-YWZLYKJASA-N. The full InChI is InChI=1S/C20H33N3O3/c1-19(2,3)26-18(25)23-11-15-10-20(15,13-23)12-22-8-6-16(7-9-22)21-17(24)14-4-5-14/h14-16H,4-13H2,1-3H3,(H,21,24)/t15-,20-/m0/s1.
What are the key properties of tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,5R)-1-[[4-(cyclopropanecarbonylamino)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 124725813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).