tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate

C14H25NO3 — CID 121207999

IUPACtert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(CO)CC2(CCC2)C1
InChIInChI=1S/C14H25NO3/c1-12(2,3)18-11(17)15-9-14(10-16)7-13(8-14)5-4-6-13/h16H,4-10H2,1-3H3,(H,15,17)
InChIKeyFYPZUAJEKBOYCS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate

tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate (PubChem CID 121207999) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
PubChem CID121207999
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(CO)CC2(CCC2)C1
InChIInChI=1S/C14H25NO3/c1-12(2,3)18-11(17)15-9-14(10-16)7-13(8-14)5-4-6-13/h16H,4-10H2,1-3H3,(H,15,17)
InChIKeyFYPZUAJEKBOYCS-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate (CID 121207999) is tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(CO)CC2(CCC2)C1.
What is the InChIKey of tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate?
The InChIKey is FYPZUAJEKBOYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(2,3)18-11(17)15-9-14(10-16)7-13(8-14)5-4-6-13/h16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate?
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.45, 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[3.3]heptan-2-yl]methyl]carbamate is sourced from PubChem (CID 121207999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).