(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid

C16H17N3O3 — CID 95774886

IUPAC(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
SMILESCc1ccc([C@@H](CC(=O)O)NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C16H17N3O3/c1-10-3-5-12(6-4-10)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)/t13-/m1/s1
InChIKeyPQCVGLWBWTXXHR-CYBMUJFWSA-N
MW299.33 g/mol
LogP2.04
Rot. Bonds5

About (3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid

(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid (PubChem CID 95774886) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
PubChem CID95774886
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
SMILESCc1ccc([C@@H](CC(=O)O)NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C16H17N3O3/c1-10-3-5-12(6-4-10)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)/t13-/m1/s1
InChIKeyPQCVGLWBWTXXHR-CYBMUJFWSA-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

propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate
CID 26069709
(3R)-3-(3,4-dimethoxyphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774883
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
CID 26177836
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 46820307
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
5-methylpyrazine-2-carboxylic acid;1,4-xylene
CID 174881923
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479
3-(4-tert-butylphenyl)-3-(pyrazine-2-carbonylamino)propanoic acid
CID 119210009

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
The IUPAC name of (3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid (CID 95774886) is (3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid is Cc1ccc([C@@H](CC(=O)O)NC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of (3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
The InChIKey is PQCVGLWBWTXXHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-3-5-12(6-4-10)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)/t13-/m1/s1.
What are the key properties of (3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid?
(3R)-3-(4-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 (3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 95774886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).