2-anilinoacetic acid;formic acid

C9H11NO4 — CID 174518720

IUPAC2-anilinoacetic acid;formic acid
SMILESO=C(O)CNc1ccccc1.O=CO
InChIInChI=1S/C8H9NO2.CH2O2/c10-8(11)6-9-7-4-2-1-3-5-7;2-1-3/h1-5,9H,6H2,(H,10,11);1H,(H,2,3)
InChIKeyXGTGWAQTGMWALD-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.88
Rot. Bonds3

About 2-anilinoacetic acid;formic acid

2-anilinoacetic acid;formic acid (PubChem CID 174518720) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-anilinoacetic acid;formic acid.

Molecular Properties

Compound Name2-anilinoacetic acid;formic acid
PubChem CID174518720
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-anilinoacetic acid;formic acid
SMILESO=C(O)CNc1ccccc1.O=CO
InChIInChI=1S/C8H9NO2.CH2O2/c10-8(11)6-9-7-4-2-1-3-5-7;2-1-3/h1-5,9H,6H2,(H,10,11);1H,(H,2,3)
InChIKeyXGTGWAQTGMWALD-UHFFFAOYSA-N
XLogP0.88
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-anilinoacetic acid;hydrazine
CID 67393863
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
2-(4-formylanilino)acetic acid
CID 21163243
2-anilinoacetic acid;2-[bis(2-hydroxyethyl)amino]ethanol
CID 130383963
bis(2-anilinoacetate);cadmium(2+)
CID 88771971
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
2-(4-bromoanilino)acetic acid
CID 6917281
azane;2-(4-hydroxyanilino)acetic acid
CID 70465187
2-anilinoacetic acid;pentylhydrazine
CID 174942831
1-anilino-3-phenyliminopropan-2-one
CID 91514500
(E)-5-anilino-4-methylpent-3-en-2-one
CID 143995368
2-anilinoacetic acid;2,5-diaminopentanoic acid
CID 90018517

Frequently Asked Questions

What is the IUPAC name of 2-anilinoacetic acid;formic acid?
The IUPAC name of 2-anilinoacetic acid;formic acid (CID 174518720) is 2-anilinoacetic acid;formic acid.
What is the SMILES notation for 2-anilinoacetic acid;formic acid?
The canonical SMILES for 2-anilinoacetic acid;formic acid is O=C(O)CNc1ccccc1.O=CO.
What is the InChIKey of 2-anilinoacetic acid;formic acid?
The InChIKey is XGTGWAQTGMWALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.CH2O2/c10-8(11)6-9-7-4-2-1-3-5-7;2-1-3/h1-5,9H,6H2,(H,10,11);1H,(H,2,3).
What are the key properties of 2-anilinoacetic acid;formic acid?
2-anilinoacetic acid;formic acid has a molecular weight of 197.19 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoacetic acid;formic acid is sourced from PubChem (CID 174518720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).