azane;bis(2-(2-hydroxyphenyl)acetic acid)

C16H22N2O6 — CID 70465939

IUPACazane;bis(2-(2-hydroxyphenyl)acetic acid)
SMILESN.N.O=C(O)Cc1ccccc1O.O=C(O)Cc1ccccc1O
InChIInChI=1S/2C8H8O3.2H3N/c2*9-7-4-2-1-3-6(7)5-8(10)11;;/h2*1-4,9H,5H2,(H,10,11);2*1H3
InChIKeySOCJUUWLTOZRBE-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.36
Rot. Bonds4

About azane;bis(2-(2-hydroxyphenyl)acetic acid)

azane;bis(2-(2-hydroxyphenyl)acetic acid) (PubChem CID 70465939) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is azane;bis(2-(2-hydroxyphenyl)acetic acid).

Molecular Properties

Compound Nameazane;bis(2-(2-hydroxyphenyl)acetic acid)
PubChem CID70465939
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Nameazane;bis(2-(2-hydroxyphenyl)acetic acid)
SMILESN.N.O=C(O)Cc1ccccc1O.O=C(O)Cc1ccccc1O
InChIInChI=1S/2C8H8O3.2H3N/c2*9-7-4-2-1-3-6(7)5-8(10)11;;/h2*1-4,9H,5H2,(H,10,11);2*1H3
InChIKeySOCJUUWLTOZRBE-UHFFFAOYSA-N
XLogP2.36
TPSA185.06 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 52.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxybenzoic acid;2-(2-hydroxyphenyl)acetic acid
CID 70273337
CID 172781001
CID 172781001
CID 172781038
CID 172781038
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1-amino-3-(2-hydroxyphenyl)propan-2-one
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benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
CID 21468463
2-(2-fluoro-3-hydroxyphenyl)acetic acid
CID 23074563
2-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)acetic acid
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sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)
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Frequently Asked Questions

What is the IUPAC name of azane;bis(2-(2-hydroxyphenyl)acetic acid)?
The IUPAC name of azane;bis(2-(2-hydroxyphenyl)acetic acid) (CID 70465939) is azane;bis(2-(2-hydroxyphenyl)acetic acid).
What is the SMILES notation for azane;bis(2-(2-hydroxyphenyl)acetic acid)?
The canonical SMILES for azane;bis(2-(2-hydroxyphenyl)acetic acid) is N.N.O=C(O)Cc1ccccc1O.O=C(O)Cc1ccccc1O.
What is the InChIKey of azane;bis(2-(2-hydroxyphenyl)acetic acid)?
The InChIKey is SOCJUUWLTOZRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8O3.2H3N/c2*9-7-4-2-1-3-6(7)5-8(10)11;;/h2*1-4,9H,5H2,(H,10,11);2*1H3.
What are the key properties of azane;bis(2-(2-hydroxyphenyl)acetic acid)?
azane;bis(2-(2-hydroxyphenyl)acetic acid) has a molecular weight of 338.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(2-(2-hydroxyphenyl)acetic acid) is sourced from PubChem (CID 70465939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).