azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate

C8H11NO4 — CID 70117945

IUPACazanium 2-hydroxy-2-(2-hydroxyphenyl)acetate
SMILESO=C([O-])C(O)c1ccccc1O.[NH4+]
InChIInChI=1S/C8H8O4.H3N/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);1H3
InChIKeyIKWKWOVZTVVHGN-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.45
Rot. Bonds2

About azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate

azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate (PubChem CID 70117945) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameazanium 2-hydroxy-2-(2-hydroxyphenyl)acetate
PubChem CID70117945
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameazanium 2-hydroxy-2-(2-hydroxyphenyl)acetate
SMILESO=C([O-])C(O)c1ccccc1O.[NH4+]
InChIInChI=1S/C8H8O4.H3N/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);1H3
InChIKeyIKWKWOVZTVVHGN-UHFFFAOYSA-N
XLogP-0.45
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

disodium;2-hydroxy-2-(2-oxidophenyl)acetate
CID 59574987
(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 6922876
CID 70117604
CID 70117604
sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 141394599
potassium;hydride;(2R)-2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256865
sodium;hydride;2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256812
2-hydroxy-1,2-bis(2-hydroxyphenyl)ethanone
CID 15792827
dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium
CID 11980569
2-(2-hydroxyphenyl)butanedioate
CID 78423930
3-(dihydroxymethyl)benzene-1,2-diol
CID 22263395
sodium hydroxy-(2-hydroxyphenyl)methanesulfonate
CID 23662761
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787

Frequently Asked Questions

What is the IUPAC name of azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate?
The IUPAC name of azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate (CID 70117945) is azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate.
What is the SMILES notation for azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate?
The canonical SMILES for azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate is O=C([O-])C(O)c1ccccc1O.[NH4+].
What is the InChIKey of azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate?
The InChIKey is IKWKWOVZTVVHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4.H3N/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);1H3.
What are the key properties of azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate?
azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate has a molecular weight of 185.18 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate is sourced from PubChem (CID 70117945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).