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

C10H19NO3 — CID 58617998

IUPACtert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1CCO
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(11)5-7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyOOQJCNOHZAGBFN-MRVPVSSYSA-N
MW201.27 g/mol
LogP1.38
Rot. Bonds2

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

tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate (PubChem CID 58617998) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
PubChem CID58617998
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1CCO
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(11)5-7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyOOQJCNOHZAGBFN-MRVPVSSYSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl 5-(2-hydroxyethyl)-1,4-oxazepane-4-carboxylate
CID 141310875
tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 156892220
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
CID 167717714
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 170939015
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
CID 143769589
tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate
CID 67107599
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 77421281
tert-butyl (2R)-4,4-difluoro-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 177223139
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate (CID 58617998) is tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1CCO.
What is the InChIKey of tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate?
The InChIKey is OOQJCNOHZAGBFN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(11)5-7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate?
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate is sourced from PubChem (CID 58617998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).