tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate

C14H24N2O4 — CID 178127023

IUPACtert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC2(CC2)C1
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)15-10(8-17)11(18)16-7-6-14(9-16)4-5-14/h10,17H,4-9H2,1-3H3,(H,15,19)/t10-/m1/s1
InChIKeyMJHNYLYWHNAQCK-SNVBAGLBSA-N
MW284.36 g/mol
LogP0.88
Rot. Bonds3

About tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate (PubChem CID 178127023) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate
PubChem CID178127023
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC2(CC2)C1
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)15-10(8-17)11(18)16-7-6-14(9-16)4-5-14/h10,17H,4-9H2,1-3H3,(H,15,19)/t10-/m1/s1
InChIKeyMJHNYLYWHNAQCK-SNVBAGLBSA-N
XLogP0.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate (CID 178127023) is tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC2(CC2)C1.
What is the InChIKey of tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The InChIKey is MJHNYLYWHNAQCK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)15-10(8-17)11(18)16-7-6-14(9-16)4-5-14/h10,17H,4-9H2,1-3H3,(H,15,19)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 178127023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).