5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid

C11H15N3O3 — CID 107372474

IUPAC5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid
SMILESCN(CC1CC(O)C1)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H15N3O3/c1-14(6-7-2-8(15)3-7)10-5-12-9(4-13-10)11(16)17/h4-5,7-8,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyAYSVBTDSERSHHD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.38
Rot. Bonds4

About 5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid

5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid (PubChem CID 107372474) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid
PubChem CID107372474
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid
SMILESCN(CC1CC(O)C1)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H15N3O3/c1-14(6-7-2-8(15)3-7)10-5-12-9(4-13-10)11(16)17/h4-5,7-8,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyAYSVBTDSERSHHD-UHFFFAOYSA-N
XLogP0.38
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid (CID 107372474) is 5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid is CN(CC1CC(O)C1)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid?
The InChIKey is AYSVBTDSERSHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14(6-7-2-8(15)3-7)10-5-12-9(4-13-10)11(16)17/h4-5,7-8,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid?
5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).