(6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid

C9H12N2O3 — CID 129450670

IUPAC(6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
SMILESCC[C@H]1COc2c(C(=O)O)cnn2C1
InChIInChI=1S/C9H12N2O3/c1-2-6-4-11-8(14-5-6)7(3-10-11)9(12)13/h3,6H,2,4-5H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyAPCFLWHYDTVYRM-ZCFIWIBFSA-N
MW196.21 g/mol
LogP1.00
Rot. Bonds2

About (6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid

(6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid (PubChem CID 129450670) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
PubChem CID129450670
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
SMILESCC[C@H]1COc2c(C(=O)O)cnn2C1
InChIInChI=1S/C9H12N2O3/c1-2-6-4-11-8(14-5-6)7(3-10-11)9(12)13/h3,6H,2,4-5H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyAPCFLWHYDTVYRM-ZCFIWIBFSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid?
The IUPAC name of (6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid (CID 129450670) is (6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid.
What is the SMILES notation for (6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid?
The canonical SMILES for (6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid is CC[C@H]1COc2c(C(=O)O)cnn2C1.
What is the InChIKey of (6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid?
The InChIKey is APCFLWHYDTVYRM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-6-4-11-8(14-5-6)7(3-10-11)9(12)13/h3,6H,2,4-5H2,1H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid?
(6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid is sourced from PubChem (CID 129450670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).