3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid

C11H17N3O2 — CID 62709321

IUPAC3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid
SMILESCCC(Nc1nccnc1C(=O)O)C(C)C
InChIInChI=1S/C11H17N3O2/c1-4-8(7(2)3)14-10-9(11(15)16)12-5-6-13-10/h5-8H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyZXMDYNSUHMARJJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.02
Rot. Bonds5

About 3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid

3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid (PubChem CID 62709321) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid
PubChem CID62709321
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid
SMILESCCC(Nc1nccnc1C(=O)O)C(C)C
InChIInChI=1S/C11H17N3O2/c1-4-8(7(2)3)14-10-9(11(15)16)12-5-6-13-10/h5-8H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyZXMDYNSUHMARJJ-UHFFFAOYSA-N
XLogP2.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hexan-2-ylamino)pyrazine-2-carboxylic acid
CID 62711324
3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide
CID 65193004
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
3-(1-hydroxypropan-2-ylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167881120
3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid
CID 62709836
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106197957
5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63537840
3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106162775
3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid
CID 63259868
3-(2-methylpentan-3-ylamino)pyrazine-2-carbonitrile
CID 62673067
2-(2-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 55247596
2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80571095

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid (CID 62709321) is 3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid is CCC(Nc1nccnc1C(=O)O)C(C)C.
What is the InChIKey of 3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is ZXMDYNSUHMARJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-8(7(2)3)14-10-9(11(15)16)12-5-6-13-10/h5-8H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid?
3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62709321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).