(2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid

C12H15N3O3 — CID 162739047

IUPAC(2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](CC1CCC1)C(=O)O)c1cnccn1
InChIInChI=1S/C12H15N3O3/c16-11(10-7-13-4-5-14-10)15-9(12(17)18)6-8-2-1-3-8/h4-5,7-9H,1-3,6H2,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyCYYANCYYVGKXHW-VIFPVBQESA-N
MW249.27 g/mol
LogP0.85
Rot. Bonds5

About (2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid

(2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid (PubChem CID 162739047) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid
PubChem CID162739047
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](CC1CCC1)C(=O)O)c1cnccn1
InChIInChI=1S/C12H15N3O3/c16-11(10-7-13-4-5-14-10)15-9(12(17)18)6-8-2-1-3-8/h4-5,7-9H,1-3,6H2,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyCYYANCYYVGKXHW-VIFPVBQESA-N
XLogP0.85
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
CID 112733139
2-cyclopropyl-2-(pyrazine-2-carbonylamino)acetic acid
CID 62695126
(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
(E)-2-(pyrazine-2-carbonylamino)hex-4-enoic acid
CID 120692944
3-cyclohexyl-2-(2H-triazole-4-carbonylamino)propanoic acid
CID 114264473
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
CID 82786676
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(pyrazine-2-carbonylamino)propanoic acid
CID 53362907
N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 22260465
N-(2-amino-1-cyclopropylethyl)pyrazine-2-carboxamide;dihydrochloride
CID 119616630
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
CID 59911823

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid?
The IUPAC name of (2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid (CID 162739047) is (2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid is O=C(N[C@@H](CC1CCC1)C(=O)O)c1cnccn1.
What is the InChIKey of (2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid?
The InChIKey is CYYANCYYVGKXHW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(10-7-13-4-5-14-10)15-9(12(17)18)6-8-2-1-3-8/h4-5,7-9H,1-3,6H2,(H,15,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid?
(2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid has a molecular weight of 249.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid is sourced from PubChem (CID 162739047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).