3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid

C9H11N3O4 — CID 63259868

IUPAC3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid
SMILESCC(C)OC(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C9H11N3O4/c1-5(2)16-9(15)12-7-6(8(13)14)10-3-4-11-7/h3-5H,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyFUPPXRKZNPLSCO-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.13
Rot. Bonds3

About 3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid

3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid (PubChem CID 63259868) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid
PubChem CID63259868
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid
SMILESCC(C)OC(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C9H11N3O4/c1-5(2)16-9(15)12-7-6(8(13)14)10-3-4-11-7/h3-5H,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyFUPPXRKZNPLSCO-UHFFFAOYSA-N
XLogP1.13
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid (CID 63259868) is 3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid is CC(C)OC(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid?
The InChIKey is FUPPXRKZNPLSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-5(2)16-9(15)12-7-6(8(13)14)10-3-4-11-7/h3-5H,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid?
3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 63259868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).