2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid

C9H7NO5 — CID 131403905

IUPAC2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid
SMILESO=C(O)C(O)c1cccc2[nH]c(=O)oc12
InChIInChI=1S/C9H7NO5/c11-6(8(12)13)4-2-1-3-5-7(4)15-9(14)10-5/h1-3,6,11H,(H,10,14)(H,12,13)
InChIKeyNTTVNKBPNCZVEF-UHFFFAOYSA-N
MW209.16 g/mol
LogP0.24
Rot. Bonds2

About 2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid

2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid (PubChem CID 131403905) has the molecular formula C9H7NO5 and a molecular weight of 209.16 g/mol. Its IUPAC name is 2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid
PubChem CID131403905
Molecular FormulaC9H7NO5
Molecular Weight209.16 g/mol
Exact Mass209.03
IUPAC Name2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid
SMILESO=C(O)C(O)c1cccc2[nH]c(=O)oc12
InChIInChI=1S/C9H7NO5/c11-6(8(12)13)4-2-1-3-5-7(4)15-9(14)10-5/h1-3,6,11H,(H,10,14)(H,12,13)
InChIKeyNTTVNKBPNCZVEF-UHFFFAOYSA-N
XLogP0.24
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid (CID 131403905) is 2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid is O=C(O)C(O)c1cccc2[nH]c(=O)oc12.
What is the InChIKey of 2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid?
The InChIKey is NTTVNKBPNCZVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5/c11-6(8(12)13)4-2-1-3-5-7(4)15-9(14)10-5/h1-3,6,11H,(H,10,14)(H,12,13).
What are the key properties of 2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid?
2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid has a molecular weight of 209.16 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid is sourced from PubChem (CID 131403905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).