2-methyl-3-(pyrazin-2-ylamino)propanoic acid

C8H11N3O2 — CID 62676796

IUPAC2-methyl-3-(pyrazin-2-ylamino)propanoic acid
SMILESCC(CNc1cnccn1)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-6(8(12)13)4-11-7-5-9-2-3-10-7/h2-3,5-6H,4H2,1H3,(H,10,11)(H,12,13)
InChIKeyZQNJHGAZCFLMRM-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.61
Rot. Bonds4

About 2-methyl-3-(pyrazin-2-ylamino)propanoic acid

2-methyl-3-(pyrazin-2-ylamino)propanoic acid (PubChem CID 62676796) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-methyl-3-(pyrazin-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(pyrazin-2-ylamino)propanoic acid
PubChem CID62676796
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-methyl-3-(pyrazin-2-ylamino)propanoic acid
SMILESCC(CNc1cnccn1)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-6(8(12)13)4-11-7-5-9-2-3-10-7/h2-3,5-6H,4H2,1H3,(H,10,11)(H,12,13)
InChIKeyZQNJHGAZCFLMRM-UHFFFAOYSA-N
XLogP0.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
(2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride
CID 119851731
2-methyl-3-(pyridin-4-ylamino)propanoic acid
CID 46848736
(2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol
CID 129377877
3-(ethylamino)-2-methyl-N-pyrazin-2-ylpropanamide
CID 62853429
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
5-methoxy-2-(pyrazin-2-ylamino)pentanoic acid
CID 81078260
(2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol
CID 101005429
ethane;N-ethylpyrazin-2-amine
CID 145154365
(2R)-2-(pyrazin-2-ylamino)propanamide
CID 93037330
(2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide
CID 129379444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrazin-2-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(pyrazin-2-ylamino)propanoic acid (CID 62676796) is 2-methyl-3-(pyrazin-2-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(pyrazin-2-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(pyrazin-2-ylamino)propanoic acid is CC(CNc1cnccn1)C(=O)O.
What is the InChIKey of 2-methyl-3-(pyrazin-2-ylamino)propanoic acid?
The InChIKey is ZQNJHGAZCFLMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6(8(12)13)4-11-7-5-9-2-3-10-7/h2-3,5-6H,4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-methyl-3-(pyrazin-2-ylamino)propanoic acid?
2-methyl-3-(pyrazin-2-ylamino)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyrazin-2-ylamino)propanoic acid is sourced from PubChem (CID 62676796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).