tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate

C9H17NO3 — CID 99770590

IUPACtert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
SMILESC[C@H]1[C@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6-7(11)5-10(6)8(12)13-9(2,3)4/h6-7,11H,5H2,1-4H3/t6-,7+/m0/s1
InChIKeyOBLFUJCDADLZAJ-NKWVEPMBSA-N
MW187.24 g/mol
LogP0.99
Rot. Bonds

About tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate

tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate (PubChem CID 99770590) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
PubChem CID99770590
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
SMILESC[C@H]1[C@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6-7(11)5-10(6)8(12)13-9(2,3)4/h6-7,11H,5H2,1-4H3/t6-,7+/m0/s1
InChIKeyOBLFUJCDADLZAJ-NKWVEPMBSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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 (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate
CID 131162965
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 169449252
ethane;2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 178026408
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 130204248
tert-butyl 3-acetyl-2-methylazetidine-1-carboxylate
CID 122590400
tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate
CID 140904862
ditert-butyl 3-hydroxy-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole-1,5-dicarboxylate
CID 10664049
1-O-tert-butyl 3-O-methyl (3R)-4-hydroxy-5-methylpyrrolidine-1,3-dicarboxylate
CID 18660166
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 67119719

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate (CID 99770590) is tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate is C[C@H]1[C@H](O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate?
The InChIKey is OBLFUJCDADLZAJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6-7(11)5-10(6)8(12)13-9(2,3)4/h6-7,11H,5H2,1-4H3/t6-,7+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate?
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate is sourced from PubChem (CID 99770590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).