tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate

C22H31N3O3 — CID 144625589

IUPACtert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)[C@H]1CC1c1cccnc1
InChIInChI=1S/C22H31N3O3/c1-21(2,3)28-20(27)25-9-6-22(7-10-25)12-16(22)14-24-19(26)18-11-17(18)15-5-4-8-23-13-15/h4-5,8,13,16-18H,6-7,9-12,14H2,1-3H3,(H,24,26)/t16?,17?,18-/m0/s1
InChIKeyVGHLVSQMGANRGK-ABHNRTSZSA-N
MW385.51 g/mol
LogP3.34
Rot. Bonds4

About tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 144625589) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID144625589
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Nametert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)[C@H]1CC1c1cccnc1
InChIInChI=1S/C22H31N3O3/c1-21(2,3)28-20(27)25-9-6-22(7-10-25)12-16(22)14-24-19(26)18-11-17(18)15-5-4-8-23-13-15/h4-5,8,13,16-18H,6-7,9-12,14H2,1-3H3,(H,24,26)/t16?,17?,18-/m0/s1
InChIKeyVGHLVSQMGANRGK-ABHNRTSZSA-N
XLogP3.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 71715127
tert-butyl N-[1-[[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]cycloheptyl]carbamate
CID 52505314
tert-butyl (2S)-2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 121499158
tert-butyl 2-[[(4-chlorophenyl)methylcarbamoylamino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 166834739
tert-butyl 4-[4-[[2-fluoro-4-[(2-pyridin-3-ylcyclopropanecarbonyl)amino]phenyl]methylcarbamoyl]phenyl]piperazine-1-carboxylate
CID 155737221
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
methyl (2R)-3,3-dimethyl-2-[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]butanoate
CID 129428950
tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate
CID 58393206
tert-butyl (3S,4R)-3-(dihydroxymethyl)-4-pyridin-3-ylpyrrolidine-1-carboxylate
CID 145050678
tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate
CID 78057434
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 49323600
tert-butyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]-2-pyridin-3-yl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 155591715

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate (CID 144625589) is tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)[C@H]1CC1c1cccnc1.
What is the InChIKey of tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is VGHLVSQMGANRGK-ABHNRTSZSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-21(2,3)28-20(27)25-9-6-22(7-10-25)12-16(22)14-24-19(26)18-11-17(18)15-5-4-8-23-13-15/h4-5,8,13,16-18H,6-7,9-12,14H2,1-3H3,(H,24,26)/t16?,17?,18-/m0/s1.
What are the key properties of tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 385.51 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[[(1S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 144625589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).