2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid

C8H8ClN3O3 — CID 107371387

IUPAC2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cnc(Cl)cn1)C(=O)O
InChIInChI=1S/C8H8ClN3O3/c1-4(8(14)15)12-7(13)5-2-11-6(9)3-10-5/h2-4H,1H3,(H,12,13)(H,14,15)
InChIKeyZDOHQIWWYDESGX-UHFFFAOYSA-N
MW229.62 g/mol
LogP0.33
Rot. Bonds3

About 2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid

2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid (PubChem CID 107371387) has the molecular formula C8H8ClN3O3 and a molecular weight of 229.62 g/mol. Its IUPAC name is 2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
PubChem CID107371387
Molecular FormulaC8H8ClN3O3
Molecular Weight229.62 g/mol
Exact Mass229.03
IUPAC Name2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cnc(Cl)cn1)C(=O)O
InChIInChI=1S/C8H8ClN3O3/c1-4(8(14)15)12-7(13)5-2-11-6(9)3-10-5/h2-4H,1H3,(H,12,13)(H,14,15)
InChIKeyZDOHQIWWYDESGX-UHFFFAOYSA-N
XLogP0.33
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107371470
5-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107249224
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107371398
5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107371850
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068
5-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103817083
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
CID 122107922
5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
CID 107257777
5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
CID 107258073
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid (CID 107371387) is 2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid is CC(NC(=O)c1cnc(Cl)cn1)C(=O)O.
What is the InChIKey of 2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid?
The InChIKey is ZDOHQIWWYDESGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3/c1-4(8(14)15)12-7(13)5-2-11-6(9)3-10-5/h2-4H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid?
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid has a molecular weight of 229.62 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107371387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).