3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid

C10H13N3O4 — CID 82377369

IUPAC3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
SMILESCN(C)CC1Oc2[nH]c(C(=O)O)cc2NC1=O
InChIInChI=1S/C10H13N3O4/c1-13(2)4-7-8(14)11-5-3-6(10(15)16)12-9(5)17-7/h3,7,12H,4H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyFERHHCOUUAEDEC-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.03
Rot. Bonds3

About 3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid

3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid (PubChem CID 82377369) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
PubChem CID82377369
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
SMILESCN(C)CC1Oc2[nH]c(C(=O)O)cc2NC1=O
InChIInChI=1S/C10H13N3O4/c1-13(2)4-7-8(14)11-5-3-6(10(15)16)12-9(5)17-7/h3,7,12H,4H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyFERHHCOUUAEDEC-UHFFFAOYSA-N
XLogP-0.03
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid?
The IUPAC name of 3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid (CID 82377369) is 3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid.
What is the SMILES notation for 3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid?
The canonical SMILES for 3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid is CN(C)CC1Oc2[nH]c(C(=O)O)cc2NC1=O.
What is the InChIKey of 3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid?
The InChIKey is FERHHCOUUAEDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-13(2)4-7-8(14)11-5-3-6(10(15)16)12-9(5)17-7/h3,7,12H,4H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid?
3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid is sourced from PubChem (CID 82377369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).