tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate

C18H32N2O4 — CID 126820535

IUPACtert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate
SMILESCN(CCCCO)C(=O)C1N(C(=O)OC(C)(C)C)CC12CCCC2
InChIInChI=1S/C18H32N2O4/c1-17(2,3)24-16(23)20-13-18(9-5-6-10-18)14(20)15(22)19(4)11-7-8-12-21/h14,21H,5-13H2,1-4H3
InChIKeyGTTCEZWJTJUCLY-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.40
Rot. Bonds5

About tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate

tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 126820535) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate
PubChem CID126820535
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nametert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate
SMILESCN(CCCCO)C(=O)C1N(C(=O)OC(C)(C)C)CC12CCCC2
InChIInChI=1S/C18H32N2O4/c1-17(2,3)24-16(23)20-13-18(9-5-6-10-18)14(20)15(22)19(4)11-7-8-12-21/h14,21H,5-13H2,1-4H3
InChIKeyGTTCEZWJTJUCLY-UHFFFAOYSA-N
XLogP2.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 82379353
tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110415924
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
tert-butyl 3-methylsulfonyloxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 175761391
3-(4-hydroxybutyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 69210456
tert-butyl 3-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 170562316
tert-butyl 2-[(5-hydroxypentylamino)methyl]pyrrolidine-1-carboxylate
CID 107316734
tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate
CID 76850181
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
tert-butyl (2R)-4,4-difluoro-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 177223139
tert-butyl 4-[methoxy(methyl)carbamoyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 169066755
tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
CID 82667309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate (CID 126820535) is tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate is CN(CCCCO)C(=O)C1N(C(=O)OC(C)(C)C)CC12CCCC2.
What is the InChIKey of tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is GTTCEZWJTJUCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-17(2,3)24-16(23)20-13-18(9-5-6-10-18)14(20)15(22)19(4)11-7-8-12-21/h14,21H,5-13H2,1-4H3.
What are the key properties of tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate?
tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-hydroxybutyl(methyl)carbamoyl]-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 126820535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).