1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid

C14H19N3O3 — CID 115433312

IUPAC1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNc2nccn(C3CC3)c2=O)CCCC1
InChIInChI=1S/C14H19N3O3/c18-12-11(15-7-8-17(12)10-3-4-10)16-9-14(13(19)20)5-1-2-6-14/h7-8,10H,1-6,9H2,(H,15,16)(H,19,20)
InChIKeyJFHZUXCXKJVVIU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.64
Rot. Bonds5

About 1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433312) 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)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433312
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNc2nccn(C3CC3)c2=O)CCCC1
InChIInChI=1S/C14H19N3O3/c18-12-11(15-7-8-17(12)10-3-4-10)16-9-14(13(19)20)5-1-2-6-14/h7-8,10H,1-6,9H2,(H,15,16)(H,19,20)
InChIKeyJFHZUXCXKJVVIU-UHFFFAOYSA-N
XLogP1.64
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438721
1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one
CID 65110313
1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 65110579
1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one
CID 103989758
1-cyclopropyl-3-[(1-ethylcyclopropyl)methylamino]pyrazin-2-one
CID 103931036
1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one
CID 65118452
1-cyclopropyl-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
CID 112561891
2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
CID 62940892
1-cyclopropyl-3-(propylamino)pyrazin-2-one
CID 62938241
2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 65226552
3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one
CID 106845044
3-(cyclobutylamino)-1-cyclopropylpyrazin-2-one
CID 62927759

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid (CID 115433312) is 1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CNc2nccn(C3CC3)c2=O)CCCC1.
What is the InChIKey of 1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is JFHZUXCXKJVVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12-11(15-7-8-17(12)10-3-4-10)16-9-14(13(19)20)5-1-2-6-14/h7-8,10H,1-6,9H2,(H,15,16)(H,19,20).
What are the key properties of 1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).