2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid

C11H9NO6 — CID 118818652

IUPAC2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
SMILESO=C(O)Cc1nc2c(C(O)C(=O)O)cccc2o1
InChIInChI=1S/C11H9NO6/c13-8(14)4-7-12-9-5(10(15)11(16)17)2-1-3-6(9)18-7/h1-3,10,15H,4H2,(H,13,14)(H,16,17)
InChIKeySONBPXGLDJKFNA-UHFFFAOYSA-N
MW251.19 g/mol
LogP0.57
Rot. Bonds4

About 2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid

2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid (PubChem CID 118818652) has the molecular formula C11H9NO6 and a molecular weight of 251.19 g/mol. Its IUPAC name is 2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
PubChem CID118818652
Molecular FormulaC11H9NO6
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
SMILESO=C(O)Cc1nc2c(C(O)C(=O)O)cccc2o1
InChIInChI=1S/C11H9NO6/c13-8(14)4-7-12-9-5(10(15)11(16)17)2-1-3-6(9)18-7/h1-3,10,15H,4H2,(H,13,14)(H,16,17)
InChIKeySONBPXGLDJKFNA-UHFFFAOYSA-N
XLogP0.57
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid (CID 118818652) is 2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid is O=C(O)Cc1nc2c(C(O)C(=O)O)cccc2o1.
What is the InChIKey of 2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid?
The InChIKey is SONBPXGLDJKFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO6/c13-8(14)4-7-12-9-5(10(15)11(16)17)2-1-3-6(9)18-7/h1-3,10,15H,4H2,(H,13,14)(H,16,17).
What are the key properties of 2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid?
2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid has a molecular weight of 251.19 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 118818652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).