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

C10H19NO3 — CID 69259114

IUPACtert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate
SMILESCC(O)[C@@H]1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(12)8-5-6-11(8)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyUAVHGUOCKYOULX-MQWKRIRWSA-N
MW201.27 g/mol
LogP1.38
Rot. Bonds1

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

tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate (PubChem CID 69259114) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate
PubChem CID69259114
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate
SMILESCC(O)[C@@H]1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(12)8-5-6-11(8)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyUAVHGUOCKYOULX-MQWKRIRWSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate (CID 69259114) is tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate is CC(O)[C@@H]1CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate?
The InChIKey is UAVHGUOCKYOULX-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(12)8-5-6-11(8)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7?,8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate?
tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(1-hydroxyethyl)azetidine-1-carboxylate is sourced from PubChem (CID 69259114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).