methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate

C11H15N3O4 — CID 71789403

IUPACmethyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C11H15N3O4/c1-13(7-10(15)17-2)11(16)8-6-9-14(12-8)4-3-5-18-9/h6H,3-5,7H2,1-2H3
InChIKeyMSYVZJZAALLUTB-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.09
Rot. Bonds3

About methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate

methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate (PubChem CID 71789403) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate
PubChem CID71789403
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C11H15N3O4/c1-13(7-10(15)17-2)11(16)8-6-9-14(12-8)4-3-5-18-9/h6H,3-5,7H2,1-2H3
InChIKeyMSYVZJZAALLUTB-UHFFFAOYSA-N
XLogP-0.09
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate (CID 71789403) is methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate is COC(=O)CN(C)C(=O)c1cc2n(n1)CCCO2.
What is the InChIKey of methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate?
The InChIKey is MSYVZJZAALLUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-13(7-10(15)17-2)11(16)8-6-9-14(12-8)4-3-5-18-9/h6H,3-5,7H2,1-2H3.
What are the key properties of methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate?
methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate has a molecular weight of 253.26 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl(methyl)amino]acetate is sourced from PubChem (CID 71789403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).