[(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate

C10H19NO3 — CID 169119367

IUPAC[(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CC[C@H]1CO
InChIInChI=1S/C10H19NO3/c1-10(2,3)11-9(13)14-8-5-4-7(8)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m0/s1
InChIKeyZMPKDAQKVOFFKD-YUMQZZPRSA-N
MW201.27 g/mol
LogP1.28
Rot. Bonds2

About [(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate

[(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate (PubChem CID 169119367) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
PubChem CID169119367
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name[(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H]1CC[C@H]1CO
InChIInChI=1S/C10H19NO3/c1-10(2,3)11-9(13)14-8-5-4-7(8)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m0/s1
InChIKeyZMPKDAQKVOFFKD-YUMQZZPRSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The IUPAC name of [(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate (CID 169119367) is [(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The canonical SMILES for [(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H]1CC[C@H]1CO.
What is the InChIKey of [(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The InChIKey is ZMPKDAQKVOFFKD-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)11-9(13)14-8-5-4-7(8)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m0/s1.
What are the key properties of [(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
[(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate has a molecular weight of 201.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate is sourced from PubChem (CID 169119367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).