4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid

C13H17N3O4 — CID 66250882

IUPAC4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C13H17N3O4/c1-13(12(18)19)7-20-6-9(13)15-10-11(17)16(5-4-14-10)8-2-3-8/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)(H,18,19)
InChIKeyOCRKWCBRACTYDE-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.48
Rot. Bonds4

About 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid

4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66250882) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66250882
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C13H17N3O4/c1-13(12(18)19)7-20-6-9(13)15-10-11(17)16(5-4-14-10)8-2-3-8/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)(H,18,19)
InChIKeyOCRKWCBRACTYDE-UHFFFAOYSA-N
XLogP0.48
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid (CID 66250882) is 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1Nc1nccn(C2CC2)c1=O.
What is the InChIKey of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is OCRKWCBRACTYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-13(12(18)19)7-20-6-9(13)15-10-11(17)16(5-4-14-10)8-2-3-8/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66250882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).