1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid

C14H19N3O3 — CID 64562162

IUPAC1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid
SMILESO=C(O)C1CCCCCN1c1nccn(C2CC2)c1=O
InChIInChI=1S/C14H19N3O3/c18-13-12(15-7-9-16(13)10-5-6-10)17-8-3-1-2-4-11(17)14(19)20/h7,9-11H,1-6,8H2,(H,19,20)
InChIKeyTZNFTBMCCCGSCG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.41
Rot. Bonds3

About 1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid

1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid (PubChem CID 64562162) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid
PubChem CID64562162
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid
SMILESO=C(O)C1CCCCCN1c1nccn(C2CC2)c1=O
InChIInChI=1S/C14H19N3O3/c18-13-12(15-7-9-16(13)10-5-6-10)17-8-3-1-2-4-11(17)14(19)20/h7,9-11H,1-6,8H2,(H,19,20)
InChIKeyTZNFTBMCCCGSCG-UHFFFAOYSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(bromomethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 80676138
1-(3-hydroxy-2-pyridinyl)piperidine-2-carboxylic acid
CID 71649558
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-cyclopropylpyrazin-2-one
CID 154580769
2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid
CID 63902780
3-(4-bromopiperidin-1-yl)-1-cyclopropylpyrazin-2-one
CID 80674441
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125995
1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 62684493
1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62929719
1-cycloheptylimidazole-2-carboxylic acid
CID 130609991
1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 62928188
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)azepane-2-carboxylic acid
CID 137015830
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147237

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid?
The IUPAC name of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid (CID 64562162) is 1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid is O=C(O)C1CCCCCN1c1nccn(C2CC2)c1=O.
What is the InChIKey of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid?
The InChIKey is TZNFTBMCCCGSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13-12(15-7-9-16(13)10-5-6-10)17-8-3-1-2-4-11(17)14(19)20/h7,9-11H,1-6,8H2,(H,19,20).
What are the key properties of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid?
1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid is sourced from PubChem (CID 64562162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).