4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid

C14H21N3O3 — CID 63721569

IUPAC4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)Cn1ccnc(N2CC(C)C(C(=O)O)C2)c1=O
InChIInChI=1S/C14H21N3O3/c1-9(2)6-16-5-4-15-12(13(16)18)17-7-10(3)11(8-17)14(19)20/h4-5,9-11H,6-8H2,1-3H3,(H,19,20)
InChIKeyKVVOHEZNZGRSMU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.06
Rot. Bonds4

About 4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid

4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 63721569) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID63721569
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)Cn1ccnc(N2CC(C)C(C(=O)O)C2)c1=O
InChIInChI=1S/C14H21N3O3/c1-9(2)6-16-5-4-15-12(13(16)18)17-7-10(3)11(8-17)14(19)20/h4-5,9-11H,6-8H2,1-3H3,(H,19,20)
InChIKeyKVVOHEZNZGRSMU-UHFFFAOYSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid (CID 63721569) is 4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid is CC(C)Cn1ccnc(N2CC(C)C(C(=O)O)C2)c1=O.
What is the InChIKey of 4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is KVVOHEZNZGRSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)6-16-5-4-15-12(13(16)18)17-7-10(3)11(8-17)14(19)20/h4-5,9-11H,6-8H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).