3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid

C16H17N3O3 — CID 90093433

IUPAC3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
SMILESCc1cnc(C(=O)NC(CC(=O)O)c2ccccc2C)cn1
InChIInChI=1S/C16H17N3O3/c1-10-5-3-4-6-12(10)13(7-15(20)21)19-16(22)14-9-17-11(2)8-18-14/h3-6,8-9,13H,7H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGXUOSJRLXMSPQY-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.04
Rot. Bonds5

About 3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid

3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid (PubChem CID 90093433) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
PubChem CID90093433
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
SMILESCc1cnc(C(=O)NC(CC(=O)O)c2ccccc2C)cn1
InChIInChI=1S/C16H17N3O3/c1-10-5-3-4-6-12(10)13(7-15(20)21)19-16(22)14-9-17-11(2)8-18-14/h3-6,8-9,13H,7H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGXUOSJRLXMSPQY-UHFFFAOYSA-N
XLogP2.04
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774886
3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 90094238
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
(3S)-3-[[6-(5-fluoro-2-methyl-4-pyridinyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 102594258
(3R)-3-[(1-tert-butylpyrazole-4-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851599
(3R)-3-(3,4-dimethoxyphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774883
3-[(1-tert-butylpyrazole-4-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 86782573
3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 86782572
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
3-[(6-chloro-5-methoxypyridine-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 72661502
(3S)-3-(2-methylphenyl)-3-[[6-(3-phenylphenyl)pyridine-2-carbonyl]amino]propanoic acid
CID 90093169
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid (CID 90093433) is 3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid is Cc1cnc(C(=O)NC(CC(=O)O)c2ccccc2C)cn1.
What is the InChIKey of 3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
The InChIKey is GXUOSJRLXMSPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-5-3-4-6-12(10)13(7-15(20)21)19-16(22)14-9-17-11(2)8-18-14/h3-6,8-9,13H,7H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 90093433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).