1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid

C11H12ClN3O3 — CID 114035196

IUPAC1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H12ClN3O3/c1-11(10(17)18)3-2-4-15(11)9(16)7-5-13-6-8(12)14-7/h5-6H,2-4H2,1H3,(H,17,18)
InChIKeyLXOZDWGHIMYQKB-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.21
Rot. Bonds2

About 1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid

1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 114035196) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID114035196
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H12ClN3O3/c1-11(10(17)18)3-2-4-15(11)9(16)7-5-13-6-8(12)14-7/h5-6H,2-4H2,1H3,(H,17,18)
InChIKeyLXOZDWGHIMYQKB-UHFFFAOYSA-N
XLogP1.21
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid (CID 114035196) is 1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)c1cncc(Cl)n1.
What is the InChIKey of 1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is LXOZDWGHIMYQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c1-11(10(17)18)3-2-4-15(11)9(16)7-5-13-6-8(12)14-7/h5-6H,2-4H2,1H3,(H,17,18).
What are the key properties of 1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 269.69 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114035196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).