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

C9H10N2O4 — CID 18704516

IUPAC2-(N-carbamoyl-4-hydroxyanilino)acetic acid
SMILESNC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H10N2O4/c10-9(15)11(5-8(13)14)6-1-3-7(12)4-2-6/h1-4,12H,5H2,(H2,10,15)(H,13,14)
InChIKeyLSHNGTZXQYSYJQ-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.36
Rot. Bonds3

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

2-(N-carbamoyl-4-hydroxyanilino)acetic acid (PubChem CID 18704516) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(N-carbamoyl-4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-carbamoyl-4-hydroxyanilino)acetic acid
PubChem CID18704516
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-(N-carbamoyl-4-hydroxyanilino)acetic acid
SMILESNC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H10N2O4/c10-9(15)11(5-8(13)14)6-1-3-7(12)4-2-6/h1-4,12H,5H2,(H2,10,15)(H,13,14)
InChIKeyLSHNGTZXQYSYJQ-UHFFFAOYSA-N
XLogP0.36
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-carbamoyl-4-hydroxyanilino)acetic acid?
The IUPAC name of 2-(N-carbamoyl-4-hydroxyanilino)acetic acid (CID 18704516) is 2-(N-carbamoyl-4-hydroxyanilino)acetic acid.
What is the SMILES notation for 2-(N-carbamoyl-4-hydroxyanilino)acetic acid?
The canonical SMILES for 2-(N-carbamoyl-4-hydroxyanilino)acetic acid is NC(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(N-carbamoyl-4-hydroxyanilino)acetic acid?
The InChIKey is LSHNGTZXQYSYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c10-9(15)11(5-8(13)14)6-1-3-7(12)4-2-6/h1-4,12H,5H2,(H2,10,15)(H,13,14).
What are the key properties of 2-(N-carbamoyl-4-hydroxyanilino)acetic acid?
2-(N-carbamoyl-4-hydroxyanilino)acetic acid has a molecular weight of 210.19 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-carbamoyl-4-hydroxyanilino)acetic acid is sourced from PubChem (CID 18704516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).