2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid

C8H8ClN3O4 — CID 107371398

IUPAC2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cnc(Cl)cn1
InChIInChI=1S/C8H8ClN3O4/c9-6-2-10-4(1-11-6)7(14)12-5(3-13)8(15)16/h1-2,5,13H,3H2,(H,12,14)(H,15,16)
InChIKeyIBBVEUQVDAQFAQ-UHFFFAOYSA-N
MW245.62 g/mol
LogP-0.69
Rot. Bonds4

About 2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid

2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 107371398) has the molecular formula C8H8ClN3O4 and a molecular weight of 245.62 g/mol. Its IUPAC name is 2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID107371398
Molecular FormulaC8H8ClN3O4
Molecular Weight245.62 g/mol
Exact Mass245.02
IUPAC Name2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cnc(Cl)cn1
InChIInChI=1S/C8H8ClN3O4/c9-6-2-10-4(1-11-6)7(14)12-5(3-13)8(15)16/h1-2,5,13H,3H2,(H,12,14)(H,15,16)
InChIKeyIBBVEUQVDAQFAQ-UHFFFAOYSA-N
XLogP-0.69
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.62
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104638117
(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107371470
(2R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790343
5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide
CID 122604026
5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
CID 107258073
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
3-[(5-chloropyrazine-2-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 107371683
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
CID 107257777

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid (CID 107371398) is 2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid is O=C(NC(CO)C(=O)O)c1cnc(Cl)cn1.
What is the InChIKey of 2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is IBBVEUQVDAQFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O4/c9-6-2-10-4(1-11-6)7(14)12-5(3-13)8(15)16/h1-2,5,13H,3H2,(H,12,14)(H,15,16).
What are the key properties of 2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 245.62 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 107371398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).