2-(N-carboxy-4-hydroxyanilino)acetic acid

C9H9NO5 — CID 66615587

IUPAC2-(N-carboxy-4-hydroxyanilino)acetic acid
SMILESO=C(O)CN(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H9NO5/c11-7-3-1-6(2-4-7)10(9(14)15)5-8(12)13/h1-4,11H,5H2,(H,12,13)(H,14,15)
InChIKeyKJAHRNBMRJIVHV-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.96
Rot. Bonds3

About 2-(N-carboxy-4-hydroxyanilino)acetic acid

2-(N-carboxy-4-hydroxyanilino)acetic acid (PubChem CID 66615587) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-(N-carboxy-4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-carboxy-4-hydroxyanilino)acetic acid
PubChem CID66615587
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name2-(N-carboxy-4-hydroxyanilino)acetic acid
SMILESO=C(O)CN(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H9NO5/c11-7-3-1-6(2-4-7)10(9(14)15)5-8(12)13/h1-4,11H,5H2,(H,12,13)(H,14,15)
InChIKeyKJAHRNBMRJIVHV-UHFFFAOYSA-N
XLogP0.96
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-carboxy-4-hydroxyanilino)acetic acid?
The IUPAC name of 2-(N-carboxy-4-hydroxyanilino)acetic acid (CID 66615587) is 2-(N-carboxy-4-hydroxyanilino)acetic acid.
What is the SMILES notation for 2-(N-carboxy-4-hydroxyanilino)acetic acid?
The canonical SMILES for 2-(N-carboxy-4-hydroxyanilino)acetic acid is O=C(O)CN(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(N-carboxy-4-hydroxyanilino)acetic acid?
The InChIKey is KJAHRNBMRJIVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c11-7-3-1-6(2-4-7)10(9(14)15)5-8(12)13/h1-4,11H,5H2,(H,12,13)(H,14,15).
What are the key properties of 2-(N-carboxy-4-hydroxyanilino)acetic acid?
2-(N-carboxy-4-hydroxyanilino)acetic acid has a molecular weight of 211.17 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-carboxy-4-hydroxyanilino)acetic acid is sourced from PubChem (CID 66615587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).