2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid

C10H12N4O2 — CID 65226638

IUPAC2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1cnc(C#N)cn1)C(=O)O
InChIInChI=1S/C10H12N4O2/c1-2-7(10(15)16)4-13-9-6-12-8(3-11)5-14-9/h5-7H,2,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyTZYITWZDSGAZPE-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.87
Rot. Bonds5

About 2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid

2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid (PubChem CID 65226638) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid
PubChem CID65226638
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1cnc(C#N)cn1)C(=O)O
InChIInChI=1S/C10H12N4O2/c1-2-7(10(15)16)4-13-9-6-12-8(3-11)5-14-9/h5-7H,2,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyTZYITWZDSGAZPE-UHFFFAOYSA-N
XLogP0.87
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
CID 104917594
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
3-[(5-cyanopyrazin-2-yl)amino]-2,2,3-trimethylbutanoic acid
CID 65265948
2-[(pyrimidin-4-ylamino)methyl]butanoic acid
CID 65226291
2-[(pyrimidin-2-ylamino)methyl]butanoic acid
CID 65226732
5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
CID 104917836
5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133484456
5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile
CID 133485018
2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid
CID 65226729
5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
CID 114942435
1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 81164784

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid (CID 65226638) is 2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid is CCC(CNc1cnc(C#N)cn1)C(=O)O.
What is the InChIKey of 2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid?
The InChIKey is TZYITWZDSGAZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-7(10(15)16)4-13-9-6-12-8(3-11)5-14-9/h5-7H,2,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid?
2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 65226638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).