5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid

C13H18N4O3 — CID 122054120

IUPAC5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)N1CC(Nc2cnc(C(=O)O)cn2)CC1=O
InChIInChI=1S/C13H18N4O3/c1-13(2,3)17-7-8(4-11(17)18)16-10-6-14-9(5-15-10)12(19)20/h5-6,8H,4,7H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyRANBDPIMIZQYIJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.99
Rot. Bonds3

About 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid

5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 122054120) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid
PubChem CID122054120
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)N1CC(Nc2cnc(C(=O)O)cn2)CC1=O
InChIInChI=1S/C13H18N4O3/c1-13(2,3)17-7-8(4-11(17)18)16-10-6-14-9(5-15-10)12(19)20/h5-6,8H,4,7H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyRANBDPIMIZQYIJ-UHFFFAOYSA-N
XLogP0.99
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid (CID 122054120) is 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid is CC(C)(C)N1CC(Nc2cnc(C(=O)O)cn2)CC1=O.
What is the InChIKey of 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is RANBDPIMIZQYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-13(2,3)17-7-8(4-11(17)18)16-10-6-14-9(5-15-10)12(19)20/h5-6,8H,4,7H2,1-3H3,(H,15,16)(H,19,20).
What are the key properties of 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid?
5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).