5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride

C10H12ClNO3 — CID 171197416

IUPAC5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cc([C@H]2CCN2)ccc1O
InChIInChI=1S/C10H11NO3.ClH/c12-9-2-1-6(8-3-4-11-8)5-7(9)10(13)14;/h1-2,5,8,11-12H,3-4H2,(H,13,14);1H/t8-;/m1./s1
InChIKeyUSWSBKIECFIKIU-DDWIOCJRSA-N
MW229.66 g/mol
LogP1.55
Rot. Bonds2

About 5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride

5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride (PubChem CID 171197416) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride
PubChem CID171197416
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cc([C@H]2CCN2)ccc1O
InChIInChI=1S/C10H11NO3.ClH/c12-9-2-1-6(8-3-4-11-8)5-7(9)10(13)14;/h1-2,5,8,11-12H,3-4H2,(H,13,14);1H/t8-;/m1./s1
InChIKeyUSWSBKIECFIKIU-DDWIOCJRSA-N
XLogP1.55
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S)-azetidin-2-yl]-2-methylbenzoic acid
CID 131057016
5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid
CID 130744353
4-[(2S)-azetidin-2-yl]-2-iodophenol
CID 131093633
2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 66519029
4-[(2S)-azetidin-2-yl]-2-nitrophenol;hydrochloride
CID 171196666
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
[4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate
CID 131531579
4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol
CID 130690217
2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid
CID 131498459
2-(azetidin-2-yl)-3-fluorobenzoic acid
CID 55297953

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride?
The IUPAC name of 5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride (CID 171197416) is 5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride.
What is the SMILES notation for 5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride?
The canonical SMILES for 5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride is Cl.O=C(O)c1cc([C@H]2CCN2)ccc1O.
What is the InChIKey of 5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride?
The InChIKey is USWSBKIECFIKIU-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H11NO3.ClH/c12-9-2-1-6(8-3-4-11-8)5-7(9)10(13)14;/h1-2,5,8,11-12H,3-4H2,(H,13,14);1H/t8-;/m1./s1.
What are the key properties of 5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride?
5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride has a molecular weight of 229.66 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride is sourced from PubChem (CID 171197416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).