tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate

C9H15NO4 — CID 131162965

IUPACtert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O)[C@H]1C=O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-4-7(12)6(10)5-11/h5-7,12H,4H2,1-3H3/t6-,7-/m1/s1
InChIKeySWILCUXZNMRWKB-RNFRBKRXSA-N
MW201.22 g/mol
LogP0.17
Rot. Bonds1

About tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate

tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate (PubChem CID 131162965) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate
PubChem CID131162965
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nametert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O)[C@H]1C=O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-4-7(12)6(10)5-11/h5-7,12H,4H2,1-3H3/t6-,7-/m1/s1
InChIKeySWILCUXZNMRWKB-RNFRBKRXSA-N
XLogP0.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 130204248
tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol
CID 143021832
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 67119719
tert-butyl (2S)-2-formyl-4-methylpyrrolidine-1-carboxylate
CID 86679299
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl (1S,3S,4S,5R)-3-formyl-5-hydroxy-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 162472637
tert-butyl (4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 154003917
tert-butyl (2R,4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 86614993
tert-butyl (2S,3S,4S)-2-cyano-3,4-dihydroxypyrrolidine-1-carboxylate
CID 102474651
tert-butyl (2R,5S)-5-formyl-2-methylpiperidine-1-carboxylate
CID 124680509
ditert-butyl 3-hydroxy-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole-1,5-dicarboxylate
CID 10664049

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate (CID 131162965) is tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]1C=O.
What is the InChIKey of tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate?
The InChIKey is SWILCUXZNMRWKB-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-4-7(12)6(10)5-11/h5-7,12H,4H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate?
tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 131162965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).