tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate

C20H31N3O2 — CID 159868341

IUPACtert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate
SMILESCCc1ccc(N)c(NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c1
InChIInChI=1S/C20H31N3O2/c1-5-14-6-7-16(21)17(10-14)22-15-11-20(12-15)8-9-23(13-20)18(24)25-19(2,3)4/h6-7,10,15,22H,5,8-9,11-13,21H2,1-4H3
InChIKeyOGYZNPNZSMMZLA-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.03
Rot. Bonds3

About tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate

tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 159868341) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate
PubChem CID159868341
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Nametert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate
SMILESCCc1ccc(N)c(NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c1
InChIInChI=1S/C20H31N3O2/c1-5-14-6-7-16(21)17(10-14)22-15-11-20(12-15)8-9-23(13-20)18(24)25-19(2,3)4/h6-7,10,15,22H,5,8-9,11-13,21H2,1-4H3
InChIKeyOGYZNPNZSMMZLA-UHFFFAOYSA-N
XLogP4.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[5-(aminomethyl)-2-nitroanilino]-6-azaspiro[3.4]octane-6-carboxylate
CID 153426279
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl 2-[[2-amino-5-(4-methylphenyl)phenyl]carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 161235049
tert-butyl 7,9-dimethyl-8-oxo-2-azaspiro[4.5]decane-2-carboxylate
CID 134201957
tert-butyl 4-(2-amino-5-cyanoanilino)piperidine-1-carboxylate
CID 118209077
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylate
CID 134129306
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
tert-butyl 7-(4-amino-3-fluorobenzoyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 156701343
tert-butyl 2-[2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-5-ethylbenzimidazol-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 159693083
tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate
CID 167430090

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate?
The IUPAC name of tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate (CID 159868341) is tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate?
The canonical SMILES for tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate is CCc1ccc(N)c(NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c1.
What is the InChIKey of tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate?
The InChIKey is OGYZNPNZSMMZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-14-6-7-16(21)17(10-14)22-15-11-20(12-15)8-9-23(13-20)18(24)25-19(2,3)4/h6-7,10,15,22H,5,8-9,11-13,21H2,1-4H3.
What are the key properties of tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate?
tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 345.49 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 159868341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).