1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid

C13H19N3O3 — CID 55157172

IUPAC1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCCCn1ccnc(NC2(C(=O)O)CCCC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-2-8-16-9-7-14-10(11(16)17)15-13(12(18)19)5-3-4-6-13/h7,9H,2-6,8H2,1H3,(H,14,15)(H,18,19)
InChIKeyQHTGLAXZRWESSM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.46
Rot. Bonds5

About 1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid

1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 55157172) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID55157172
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCCCn1ccnc(NC2(C(=O)O)CCCC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-2-8-16-9-7-14-10(11(16)17)15-13(12(18)19)5-3-4-6-13/h7,9H,2-6,8H2,1H3,(H,14,15)(H,18,19)
InChIKeyQHTGLAXZRWESSM-UHFFFAOYSA-N
XLogP1.46
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid (CID 55157172) is 1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid is CCCn1ccnc(NC2(C(=O)O)CCCC2)c1=O.
What is the InChIKey of 1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QHTGLAXZRWESSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-8-16-9-7-14-10(11(16)17)15-13(12(18)19)5-3-4-6-13/h7,9H,2-6,8H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-oxo-4-propylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55157172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).