azane;2-(4-hydroxyanilino)acetic acid

C8H12N2O3 — CID 70465187

IUPACazane;2-(4-hydroxyanilino)acetic acid
SMILESN.O=C(O)CNc1ccc(O)cc1
InChIInChI=1S/C8H9NO3.H3N/c10-7-3-1-6(2-4-7)9-5-8(11)12;/h1-4,9-10H,5H2,(H,11,12);1H3
InChIKeyCBAGUXWUJRNLBI-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.05
Rot. Bonds3

About azane;2-(4-hydroxyanilino)acetic acid

azane;2-(4-hydroxyanilino)acetic acid (PubChem CID 70465187) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is azane;2-(4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Nameazane;2-(4-hydroxyanilino)acetic acid
PubChem CID70465187
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameazane;2-(4-hydroxyanilino)acetic acid
SMILESN.O=C(O)CNc1ccc(O)cc1
InChIInChI=1S/C8H9NO3.H3N/c10-7-3-1-6(2-4-7)9-5-8(11)12;/h1-4,9-10H,5H2,(H,11,12);1H3
InChIKeyCBAGUXWUJRNLBI-UHFFFAOYSA-N
XLogP1.05
TPSA104.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromoanilino)acetic acid
CID 6917281
2-(4-ethynylanilino)acetic acid
CID 165458363
2-anilinoacetic acid;hydrazine
CID 67393863
2-(4-formylanilino)acetic acid
CID 21163243
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
2-(4-isocyanoanilino)acetic acid
CID 59288116
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
2-anilinoacetic acid;formic acid
CID 174518720
2-anilino-1-(4-hydroxyphenyl)ethanone
CID 11379161
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910

Frequently Asked Questions

What is the IUPAC name of azane;2-(4-hydroxyanilino)acetic acid?
The IUPAC name of azane;2-(4-hydroxyanilino)acetic acid (CID 70465187) is azane;2-(4-hydroxyanilino)acetic acid.
What is the SMILES notation for azane;2-(4-hydroxyanilino)acetic acid?
The canonical SMILES for azane;2-(4-hydroxyanilino)acetic acid is N.O=C(O)CNc1ccc(O)cc1.
What is the InChIKey of azane;2-(4-hydroxyanilino)acetic acid?
The InChIKey is CBAGUXWUJRNLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.H3N/c10-7-3-1-6(2-4-7)9-5-8(11)12;/h1-4,9-10H,5H2,(H,11,12);1H3.
What are the key properties of azane;2-(4-hydroxyanilino)acetic acid?
azane;2-(4-hydroxyanilino)acetic acid has a molecular weight of 184.19 g/mol, XLogP of 1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(4-hydroxyanilino)acetic acid is sourced from PubChem (CID 70465187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).