(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid

C9H11N3O4 — CID 107822419

IUPAC(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1cnccn1
InChIInChI=1S/C9H11N3O4/c13-4-1-6(9(15)16)12-8(14)7-5-10-2-3-11-7/h2-3,5-6,13H,1,4H2,(H,12,14)(H,15,16)/t6-/m0/s1
InChIKeyBOLGYYSVWBCHGG-LURJTMIESA-N
MW225.20 g/mol
LogP-0.96
Rot. Bonds5

About (2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid

(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid (PubChem CID 107822419) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
PubChem CID107822419
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1cnccn1
InChIInChI=1S/C9H11N3O4/c13-4-1-6(9(15)16)12-8(14)7-5-10-2-3-11-7/h2-3,5-6,13H,1,4H2,(H,12,14)(H,15,16)/t6-/m0/s1
InChIKeyBOLGYYSVWBCHGG-LURJTMIESA-N
XLogP-0.96
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
CID 112733139
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
CID 82786676
(E)-2-(pyrazine-2-carbonylamino)hex-4-enoic acid
CID 120692944
(2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid
CID 162739047
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(pyrazine-2-carbonylamino)propanoic acid
CID 53362907
(2S)-6-amino-2-[[(2S,7S)-8-[[(1S)-5-amino-1-carboxypentyl]amino]-2,7-bis[[(2S)-3-carboxy-2-[[(2S)-3-hydroxy-2-(pyrazine-2-carbonylamino)propanoyl]amino]propanoyl]amino]-8-oxooctanoyl]amino]hexanoic acid
CID 10510339
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176
2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]propanoic acid
CID 14101217
(2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid
CID 107823506
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
5,5-dimethyl-2-[[3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]hexanoic acid
CID 175532859

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid (CID 107822419) is (2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid is O=C(N[C@@H](CCO)C(=O)O)c1cnccn1.
What is the InChIKey of (2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid?
The InChIKey is BOLGYYSVWBCHGG-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O4/c13-4-1-6(9(15)16)12-8(14)7-5-10-2-3-11-7/h2-3,5-6,13H,1,4H2,(H,12,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid?
(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid is sourced from PubChem (CID 107822419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).