5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid

C11H15N3O3 — CID 122058026

IUPAC5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid
SMILESCC1(C)COCC1Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C11H15N3O3/c1-11(2)6-17-5-8(11)14-9-4-12-7(3-13-9)10(15)16/h3-4,8H,5-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDCCYNIBGRMQIIW-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.01
Rot. Bonds3

About 5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid

5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 122058026) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid
PubChem CID122058026
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid
SMILESCC1(C)COCC1Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C11H15N3O3/c1-11(2)6-17-5-8(11)14-9-4-12-7(3-13-9)10(15)16/h3-4,8H,5-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDCCYNIBGRMQIIW-UHFFFAOYSA-N
XLogP1.01
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid (CID 122058026) is 5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid is CC1(C)COCC1Nc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is DCCYNIBGRMQIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2)6-17-5-8(11)14-9-4-12-7(3-13-9)10(15)16/h3-4,8H,5-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid?
5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122058026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).