tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate

C12H21NO3 — CID 170911752

IUPACtert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC12CC2CO
InChIInChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-6-8-4-12(8)5-9(12)7-14/h8-9,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyZNBIHSCMBAFQGC-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate

tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate (PubChem CID 170911752) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate
PubChem CID170911752
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC12CC2CO
InChIInChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-6-8-4-12(8)5-9(12)7-14/h8-9,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyZNBIHSCMBAFQGC-UHFFFAOYSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
CID 121388239
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CID 22668023
tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270
tert-butyl N-[(3-oxospiro[3.3]heptan-1-yl)methyl]carbamate
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tert-butyl N-[[(3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]carbamate
CID 167715942
tert-butyl N-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methyl]carbamate
CID 167737736
tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate
CID 105484052
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
cis-methyl (1S,2R)-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 10988547

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate (CID 170911752) is tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CC12CC2CO.
What is the InChIKey of tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate?
The InChIKey is ZNBIHSCMBAFQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-6-8-4-12(8)5-9(12)7-14/h8-9,14H,4-7H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate?
tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate has a molecular weight of 227.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate is sourced from PubChem (CID 170911752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).