(2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid

C12H19N3O4 — CID 122049228

IUPAC(2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](Nc1cncc(OCCO)n1)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-8(2)5-9(12(17)18)14-10-6-13-7-11(15-10)19-4-3-16/h6-9,16H,3-5H2,1-2H3,(H,14,15)(H,17,18)/t9-/m1/s1
InChIKeyRQDYPBYRFCSGGY-SECBINFHSA-N
MW269.30 g/mol
LogP0.76
Rot. Bonds8

About (2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid

(2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid (PubChem CID 122049228) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid
PubChem CID122049228
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](Nc1cncc(OCCO)n1)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-8(2)5-9(12(17)18)14-10-6-13-7-11(15-10)19-4-3-16/h6-9,16H,3-5H2,1-2H3,(H,14,15)(H,17,18)/t9-/m1/s1
InChIKeyRQDYPBYRFCSGGY-SECBINFHSA-N
XLogP0.76
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid
CID 122062796
(2S)-4-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]pentanoic acid
CID 122050109
4-methyl-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]pentanoic acid
CID 122062606
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 66331276
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122049164
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122050028
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
(2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid
CID 122049144

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid (CID 122049228) is (2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](Nc1cncc(OCCO)n1)C(=O)O.
What is the InChIKey of (2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid?
The InChIKey is RQDYPBYRFCSGGY-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(2)5-9(12(17)18)14-10-6-13-7-11(15-10)19-4-3-16/h6-9,16H,3-5H2,1-2H3,(H,14,15)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid?
(2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 122049228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).