2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate

C10H9N2O4- — CID 22163461

IUPAC2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate
SMILESCC(Oc1cccc2onc(N)c12)C(=O)[O-]
InChIInChI=1S/C10H10N2O4/c1-5(10(13)14)15-6-3-2-4-7-8(6)9(11)12-16-7/h2-5H,1H3,(H2,11,12)(H,13,14)/p-1
InChIKeyUCQQYURGASEJQJ-UHFFFAOYSA-M
MW221.19 g/mol
LogP-0.07
Rot. Bonds3

About 2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate

2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate (PubChem CID 22163461) has the molecular formula C10H9N2O4- and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate.

Molecular Properties

Compound Name2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate
PubChem CID22163461
Molecular FormulaC10H9N2O4-
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate
SMILESCC(Oc1cccc2onc(N)c12)C(=O)[O-]
InChIInChI=1S/C10H10N2O4/c1-5(10(13)14)15-6-3-2-4-7-8(6)9(11)12-16-7/h2-5H,1H3,(H2,11,12)(H,13,14)/p-1
InChIKeyUCQQYURGASEJQJ-UHFFFAOYSA-M
XLogP-0.07
TPSA101.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate?
The IUPAC name of 2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate (CID 22163461) is 2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate.
What is the SMILES notation for 2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate?
The canonical SMILES for 2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate is CC(Oc1cccc2onc(N)c12)C(=O)[O-].
What is the InChIKey of 2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate?
The InChIKey is UCQQYURGASEJQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N2O4/c1-5(10(13)14)15-6-3-2-4-7-8(6)9(11)12-16-7/h2-5H,1H3,(H2,11,12)(H,13,14)/p-1.
What are the key properties of 2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate?
2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate has a molecular weight of 221.19 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2-benzoxazol-4-yl)oxy]propanoate is sourced from PubChem (CID 22163461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).