tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate

C11H20N2O3 — CID 154961836

IUPACtert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CC2)NC1O
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)12-7-6-11(4-5-11)13-8(7)14/h7-8,13-14H,4-6H2,1-3H3,(H,12,15)
InChIKeyUHBYULXBRQERDM-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.72
Rot. Bonds1

About tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate

tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate (PubChem CID 154961836) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate
PubChem CID154961836
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CC2)NC1O
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)12-7-6-11(4-5-11)13-8(7)14/h7-8,13-14H,4-6H2,1-3H3,(H,12,15)
InChIKeyUHBYULXBRQERDM-UHFFFAOYSA-N
XLogP0.72
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate
CID 141130030
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate
CID 122463347
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate?
The IUPAC name of tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate (CID 154961836) is tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate is CC(C)(C)OC(=O)NC1CC2(CC2)NC1O.
What is the InChIKey of tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate?
The InChIKey is UHBYULXBRQERDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)12-7-6-11(4-5-11)13-8(7)14/h7-8,13-14H,4-6H2,1-3H3,(H,12,15).
What are the key properties of tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate?
tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate has a molecular weight of 228.29 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-hydroxy-4-azaspiro[2.4]heptan-6-yl)carbamate is sourced from PubChem (CID 154961836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).