(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid

C9H9N3O5 — CID 112733139

IUPAC(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
SMILESO=C(O)C[C@H](NC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C9H9N3O5/c13-7(14)3-5(9(16)17)12-8(15)6-4-10-1-2-11-6/h1-2,4-5H,3H2,(H,12,15)(H,13,14)(H,16,17)/t5-/m0/s1
InChIKeyIBGLAYYEXFBSEH-YFKPBYRVSA-N
MW239.19 g/mol
LogP-0.87
Rot. Bonds5

About (2S)-2-(pyrazine-2-carbonylamino)butanedioic acid

(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid (PubChem CID 112733139) has the molecular formula C9H9N3O5 and a molecular weight of 239.19 g/mol. Its IUPAC name is (2S)-2-(pyrazine-2-carbonylamino)butanedioic acid.

Molecular Properties

Compound Name(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
PubChem CID112733139
Molecular FormulaC9H9N3O5
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC Name(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
SMILESO=C(O)C[C@H](NC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C9H9N3O5/c13-7(14)3-5(9(16)17)12-8(15)6-4-10-1-2-11-6/h1-2,4-5H,3H2,(H,12,15)(H,13,14)(H,16,17)/t5-/m0/s1
InChIKeyIBGLAYYEXFBSEH-YFKPBYRVSA-N
XLogP-0.87
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
(E)-2-(pyrazine-2-carbonylamino)hex-4-enoic acid
CID 120692944
(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
5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
CID 82786676
(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
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
2-cyclopropyl-2-(pyrazine-2-carbonylamino)acetic acid
CID 62695126
N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
CID 20782723
(2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid
CID 102921618
(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyrazine-2-carbonylamino)propanoic acid
CID 146266894

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyrazine-2-carbonylamino)butanedioic acid?
The IUPAC name of (2S)-2-(pyrazine-2-carbonylamino)butanedioic acid (CID 112733139) is (2S)-2-(pyrazine-2-carbonylamino)butanedioic acid.
What is the SMILES notation for (2S)-2-(pyrazine-2-carbonylamino)butanedioic acid?
The canonical SMILES for (2S)-2-(pyrazine-2-carbonylamino)butanedioic acid is O=C(O)C[C@H](NC(=O)c1cnccn1)C(=O)O.
What is the InChIKey of (2S)-2-(pyrazine-2-carbonylamino)butanedioic acid?
The InChIKey is IBGLAYYEXFBSEH-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9N3O5/c13-7(14)3-5(9(16)17)12-8(15)6-4-10-1-2-11-6/h1-2,4-5H,3H2,(H,12,15)(H,13,14)(H,16,17)/t5-/m0/s1.
What are the key properties of (2S)-2-(pyrazine-2-carbonylamino)butanedioic acid?
(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid has a molecular weight of 239.19 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyrazine-2-carbonylamino)butanedioic acid is sourced from PubChem (CID 112733139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).