tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate

C10H19NO2 — CID 174284070

IUPACtert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
SMILESCC1[C@H](C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7-6-11(8(7)2)9(12)13-10(3,4)5/h7-8H,6H2,1-5H3/t7-,8?/m1/s1
InChIKeyVSHDUCPSOQXOLE-GVHYBUMESA-N
MW185.27 g/mol
LogP2.26
Rot. Bonds

About tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate

tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate (PubChem CID 174284070) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
PubChem CID174284070
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
SMILESCC1[C@H](C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7-6-11(8(7)2)9(12)13-10(3,4)5/h7-8H,6H2,1-5H3/t7-,8?/m1/s1
InChIKeyVSHDUCPSOQXOLE-GVHYBUMESA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
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 3-acetyl-2-methylazetidine-1-carboxylate
CID 122590400
tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate
CID 140904862
5,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-1-carboxylic acid
CID 123363014
tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate
CID 178127390
tert-butyl (3aS,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 147356037
tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate
CID 175568283
1-O-tert-butyl 3-O-methyl (3R)-4-hydroxy-5-methylpyrrolidine-1,3-dicarboxylate
CID 18660166
tert-butyl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 83850088

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate (CID 174284070) is tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate is CC1[C@H](C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate?
The InChIKey is VSHDUCPSOQXOLE-GVHYBUMESA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-6-11(8(7)2)9(12)13-10(3,4)5/h7-8H,6H2,1-5H3/t7-,8?/m1/s1.
What are the key properties of tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate?
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate is sourced from PubChem (CID 174284070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).