tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate

C19H34N2O3 — CID 154776091

IUPACtert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCCC2NC2CC(CO)C2)C1
InChIInChI=1S/C19H34N2O3/c1-18(2,3)24-17(23)21-9-8-19(13-21)7-5-4-6-16(19)20-15-10-14(11-15)12-22/h14-16,20,22H,4-13H2,1-3H3
InChIKeyPOOWGLZGTLSAPJ-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.92
Rot. Bonds3

About tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 154776091) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID154776091
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Nametert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCCC2NC2CC(CO)C2)C1
InChIInChI=1S/C19H34N2O3/c1-18(2,3)24-17(23)21-9-8-19(13-21)7-5-4-6-16(19)20-15-10-14(11-15)12-22/h14-16,20,22H,4-13H2,1-3H3
InChIKeyPOOWGLZGTLSAPJ-UHFFFAOYSA-N
XLogP2.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
CID 82667309
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid
CID 129317695
tert-butyl 3-[(3-aminocyclobutyl)amino]azepane-1-carboxylate
CID 107249368
tert-butyl 4-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 82379353
tert-butyl (3R)-3-(hydroxymethyl)-8-azaspiro[4.5]decane-8-carboxylate
CID 124896537
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254596
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate
CID 86326135
tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate
CID 76850181

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate (CID 154776091) is tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCCCC2NC2CC(CO)C2)C1.
What is the InChIKey of tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is POOWGLZGTLSAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-18(2,3)24-17(23)21-9-8-19(13-21)7-5-4-6-16(19)20-15-10-14(11-15)12-22/h14-16,20,22H,4-13H2,1-3H3.
What are the key properties of tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate?
tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 338.49 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[3-(hydroxymethyl)cyclobutyl]amino]-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 154776091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).