2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid

C9H12N2O4 — CID 53397662

IUPAC2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid
SMILESO=C(O)COCc1cc2n(n1)CCOC2
InChIInChI=1S/C9H12N2O4/c12-9(13)6-15-4-7-3-8-5-14-2-1-11(8)10-7/h3H,1-2,4-6H2,(H,12,13)
InChIKeyZPPLMSVRRBFFOP-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.01
Rot. Bonds4

About 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid

2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid (PubChem CID 53397662) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid
PubChem CID53397662
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid
SMILESO=C(O)COCc1cc2n(n1)CCOC2
InChIInChI=1S/C9H12N2O4/c12-9(13)6-15-4-7-3-8-5-14-2-1-11(8)10-7/h3H,1-2,4-6H2,(H,12,13)
InChIKeyZPPLMSVRRBFFOP-UHFFFAOYSA-N
XLogP0.01
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid?
The IUPAC name of 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid (CID 53397662) is 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid.
What is the SMILES notation for 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid?
The canonical SMILES for 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid is O=C(O)COCc1cc2n(n1)CCOC2.
What is the InChIKey of 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid?
The InChIKey is ZPPLMSVRRBFFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-9(13)6-15-4-7-3-8-5-14-2-1-11(8)10-7/h3H,1-2,4-6H2,(H,12,13).
What are the key properties of 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid?
2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid has a molecular weight of 212.20 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid is sourced from PubChem (CID 53397662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).