tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate

C9H17NO3 — CID 11074142

IUPACtert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1CO
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyXIRUXUKRGUFEKC-SSDOTTSWSA-N
MW187.24 g/mol
LogP0.99
Rot. Bonds1

About tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate

tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate (PubChem CID 11074142) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
PubChem CID11074142
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1CO
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyXIRUXUKRGUFEKC-SSDOTTSWSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
tert-butyl 7-(hydroxymethyl)-1,4-diazepane-1-carboxylate
CID 178201698
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
CID 143769589
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 77421281
tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate
CID 67107599
tert-butyl (2S)-2-(azidomethyl)azetidine-1-carboxylate
CID 123457284
tert-butyl 4-(hydroxymethyl)-2-(methoxymethyl)piperidine-1-carboxylate
CID 172691809
tert-butyl 2-formylpiperidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;methane
CID 160782701
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
tert-butyl (3S)-3-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 135240387

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate (CID 11074142) is tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1CO.
What is the InChIKey of tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate?
The InChIKey is XIRUXUKRGUFEKC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate?
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 11074142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).