5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid

C11H17N3O3 — CID 107372485

IUPAC5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(CC(C)(C)O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H17N3O3/c1-4-14(7-11(2,3)17)9-6-12-8(5-13-9)10(15)16/h5-6,17H,4,7H2,1-3H3,(H,15,16)
InChIKeyRCSHXKPRIPWMKW-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.77
Rot. Bonds5

About 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid

5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid (PubChem CID 107372485) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
PubChem CID107372485
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(CC(C)(C)O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H17N3O3/c1-4-14(7-11(2,3)17)9-6-12-8(5-13-9)10(15)16/h5-6,17H,4,7H2,1-3H3,(H,15,16)
InChIKeyRCSHXKPRIPWMKW-UHFFFAOYSA-N
XLogP0.77
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol
CID 79383856
5-[carboxymethyl(propyl)amino]pyrazine-2-carboxylic acid
CID 122051553
5-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrazine-2-carboxylic acid
CID 134708193
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83184172
2-[(5-carbamothioylpyrazin-2-yl)-ethylamino]acetamide
CID 103102553
5-[ethyl-[(1-prop-2-ynylpyrazol-3-yl)methyl]amino]pyrazine-2-carboxylic acid
CID 122057032
5-(diethylamino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109286874
methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
CID 79390457
5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid
CID 123620674
5-[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 122054307
4-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzoic acid
CID 79385876
5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
CID 107372388

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid (CID 107372485) is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid is CCN(CC(C)(C)O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is RCSHXKPRIPWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-14(7-11(2,3)17)9-6-12-8(5-13-9)10(15)16/h5-6,17H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid?
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 239.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).