2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid

C10H10N2O4 — CID 83822740

IUPAC2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1cccc2[nH]c(=O)oc12
InChIInChI=1S/C10H10N2O4/c1-12(5-8(13)14)7-4-2-3-6-9(7)16-10(15)11-6/h2-4H,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyMVTNHTISKWIJOR-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.64
Rot. Bonds3

About 2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid

2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid (PubChem CID 83822740) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid
PubChem CID83822740
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1cccc2[nH]c(=O)oc12
InChIInChI=1S/C10H10N2O4/c1-12(5-8(13)14)7-4-2-3-6-9(7)16-10(15)11-6/h2-4H,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyMVTNHTISKWIJOR-UHFFFAOYSA-N
XLogP0.64
TPSA86.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid (CID 83822740) is 2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid is CN(CC(=O)O)c1cccc2[nH]c(=O)oc12.
What is the InChIKey of 2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid?
The InChIKey is MVTNHTISKWIJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-12(5-8(13)14)7-4-2-3-6-9(7)16-10(15)11-6/h2-4H,5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid?
2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid has a molecular weight of 222.20 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-3H-1,3-benzoxazol-7-yl)amino]acetic acid is sourced from PubChem (CID 83822740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).