4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid

C11H16N4O3 — CID 135091284

IUPAC4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid
SMILESCN(C)c1nccnc1N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H16N4O3/c1-14(2)9-10(13-4-3-12-9)15-5-6-18-8(7-15)11(16)17/h3-4,8H,5-7H2,1-2H3,(H,16,17)
InChIKeyNTHIBPUYZFIIKA-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.17
Rot. Bonds3

About 4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid

4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid (PubChem CID 135091284) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid
PubChem CID135091284
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid
SMILESCN(C)c1nccnc1N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H16N4O3/c1-14(2)9-10(13-4-3-12-9)15-5-6-18-8(7-15)11(16)17/h3-4,8H,5-7H2,1-2H3,(H,16,17)
InChIKeyNTHIBPUYZFIIKA-UHFFFAOYSA-N
XLogP-0.17
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylic acid
CID 104729453
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid
CID 63617713
(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135109265
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
4-(2,6-dimethylphenyl)morpholine-2-carboxylic acid
CID 117008757
(2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid
CID 175148937
(2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 125153617
[(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 72838441
(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
CID 97108044
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
4-(3-cyanopyrazin-2-yl)-N-cyclopropylmorpholine-2-carboxamide
CID 155942303
[4-[4-(dimethylamino)pyrimidin-2-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163345813

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid (CID 135091284) is 4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid is CN(C)c1nccnc1N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid?
The InChIKey is NTHIBPUYZFIIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14(2)9-10(13-4-3-12-9)15-5-6-18-8(7-15)11(16)17/h3-4,8H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid?
4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)pyrazin-2-yl]morpholine-2-carboxylic acid is sourced from PubChem (CID 135091284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).