6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid

C11H15N3O3 — CID 106361766

IUPAC6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NC2CCCC2CO)n1
InChIInChI=1S/C11H15N3O3/c15-6-7-2-1-3-8(7)13-10-5-12-4-9(14-10)11(16)17/h4-5,7-8,15H,1-3,6H2,(H,13,14)(H,16,17)
InChIKeyXPIRSFNKAVBQBB-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.75
Rot. Bonds4

About 6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid

6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid (PubChem CID 106361766) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid
PubChem CID106361766
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NC2CCCC2CO)n1
InChIInChI=1S/C11H15N3O3/c15-6-7-2-1-3-8(7)13-10-5-12-4-9(14-10)11(16)17/h4-5,7-8,15H,1-3,6H2,(H,13,14)(H,16,17)
InChIKeyXPIRSFNKAVBQBB-UHFFFAOYSA-N
XLogP0.75
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carboxylate
CID 106361866
6-(cycloheptylamino)pyrazine-2-carboxylic acid
CID 66458367
2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid
CID 106361779
2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid
CID 106361777
[2-[(5-amino-3-pyridinyl)amino]cyclopentyl]methanol
CID 106368070
5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114178774
methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
CID 113394825
[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid (CID 106361766) is 6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid is O=C(O)c1cncc(NC2CCCC2CO)n1.
What is the InChIKey of 6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is XPIRSFNKAVBQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-6-7-2-1-3-8(7)13-10-5-12-4-9(14-10)11(16)17/h4-5,7-8,15H,1-3,6H2,(H,13,14)(H,16,17).
What are the key properties of 6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid?
6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 106361766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).