4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid

C11H16N2O3 — CID 82377471

IUPAC4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid
SMILESCC(C)C1CN(C)c2[nH]c(C(=O)O)cc2O1
InChIInChI=1S/C11H16N2O3/c1-6(2)9-5-13(3)10-8(16-9)4-7(12-10)11(14)15/h4,6,9,12H,5H2,1-3H3,(H,14,15)
InChIKeyCFJHCIUQEWSAGG-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.57
Rot. Bonds2

About 4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid

4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid (PubChem CID 82377471) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid
PubChem CID82377471
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid
SMILESCC(C)C1CN(C)c2[nH]c(C(=O)O)cc2O1
InChIInChI=1S/C11H16N2O3/c1-6(2)9-5-13(3)10-8(16-9)4-7(12-10)11(14)15/h4,6,9,12H,5H2,1-3H3,(H,14,15)
InChIKeyCFJHCIUQEWSAGG-UHFFFAOYSA-N
XLogP1.57
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid?
The IUPAC name of 4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid (CID 82377471) is 4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid.
What is the SMILES notation for 4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid?
The canonical SMILES for 4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid is CC(C)C1CN(C)c2[nH]c(C(=O)O)cc2O1.
What is the InChIKey of 4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid?
The InChIKey is CFJHCIUQEWSAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(2)9-5-13(3)10-8(16-9)4-7(12-10)11(14)15/h4,6,9,12H,5H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid?
4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid is sourced from PubChem (CID 82377471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).