(3S)-2,3-dimethylazetidin-3-ol

C5H11NO — CID 171036474

IUPAC(3S)-2,3-dimethylazetidin-3-ol
SMILESCC1NC[C@]1(C)O
InChIInChI=1S/C5H11NO/c1-4-5(2,7)3-6-4/h4,6-7H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeyXFSHKQNHVLCBRA-AKGZTFGVSA-N
MW101.15 g/mol
LogP-0.27
Rot. Bonds

About (3S)-2,3-dimethylazetidin-3-ol

(3S)-2,3-dimethylazetidin-3-ol (PubChem CID 171036474) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (3S)-2,3-dimethylazetidin-3-ol.

Molecular Properties

Compound Name(3S)-2,3-dimethylazetidin-3-ol
PubChem CID171036474
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(3S)-2,3-dimethylazetidin-3-ol
SMILESCC1NC[C@]1(C)O
InChIInChI=1S/C5H11NO/c1-4-5(2,7)3-6-4/h4,6-7H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeyXFSHKQNHVLCBRA-AKGZTFGVSA-N
XLogP-0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-ethyl-2,3-dimethylazetidine
CID 146985830
(2S)-3,3-difluoro-2-methylazetidine;hydrochloride
CID 135396986
(3S)-3-methyl-2-azaspiro[3.3]heptane
CID 170732602
4-hydroxy-3,4-dimethylpyrrolidin-2-one
CID 55286568
3-methyl-2-azaspiro[3.6]decane
CID 130575332
(3R)-3-methyl-2-azaspiro[3.5]nonane
CID 170058658
(2S,3R)-2,3-dimethylazetidin-1-ium-3-ol
CID 140794828
3,7-dimethyl-2-azaspiro[3.5]nonane
CID 154690236
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
(3R)-2,2,3-trimethylaziridine
CID 55287043
(2R,6S)-2,4,6-trimethylpiperidin-4-ol
CID 168826968
3-methylpiperidine-3,4-diol
CID 70672277

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-dimethylazetidin-3-ol?
The IUPAC name of (3S)-2,3-dimethylazetidin-3-ol (CID 171036474) is (3S)-2,3-dimethylazetidin-3-ol.
What is the SMILES notation for (3S)-2,3-dimethylazetidin-3-ol?
The canonical SMILES for (3S)-2,3-dimethylazetidin-3-ol is CC1NC[C@]1(C)O.
What is the InChIKey of (3S)-2,3-dimethylazetidin-3-ol?
The InChIKey is XFSHKQNHVLCBRA-AKGZTFGVSA-N. The full InChI is InChI=1S/C5H11NO/c1-4-5(2,7)3-6-4/h4,6-7H,3H2,1-2H3/t4?,5-/m0/s1.
What are the key properties of (3S)-2,3-dimethylazetidin-3-ol?
(3S)-2,3-dimethylazetidin-3-ol has a molecular weight of 101.15 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dimethylazetidin-3-ol is sourced from PubChem (CID 171036474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).