2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid

C15H15N3O4 — CID 166310369

IUPAC2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid
SMILESCOc1cncc(C(=O)N(CC(=O)O)Cc2ccccc2)n1
InChIInChI=1S/C15H15N3O4/c1-22-13-8-16-7-12(17-13)15(21)18(10-14(19)20)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyCJWWAFMXOXDMSF-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.21
Rot. Bonds6

About 2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid

2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid (PubChem CID 166310369) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid
PubChem CID166310369
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid
SMILESCOc1cncc(C(=O)N(CC(=O)O)Cc2ccccc2)n1
InChIInChI=1S/C15H15N3O4/c1-22-13-8-16-7-12(17-13)15(21)18(10-14(19)20)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyCJWWAFMXOXDMSF-UHFFFAOYSA-N
XLogP1.21
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 103186970
2-[benzyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
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2-[benzyl-(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]acetic acid
CID 100635915
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
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2-[benzyl-(1-tert-butylpyrazole-4-carbonyl)amino]acetic acid
CID 75526363
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
N-benzyl-N-(2-chloroethyl)-3-methoxypyridine-4-carboxamide
CID 105064469
N-benzyl-6-methoxy-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 134031302
N-benzyl-2,6-dimethoxy-N-(2-phenylethyl)pyridine-3-carboxamide
CID 6624514
2-[benzyl(4,4-dimethylpentanoyl)amino]acetic acid
CID 119196880
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid (CID 166310369) is 2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid is COc1cncc(C(=O)N(CC(=O)O)Cc2ccccc2)n1.
What is the InChIKey of 2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid?
The InChIKey is CJWWAFMXOXDMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-22-13-8-16-7-12(17-13)15(21)18(10-14(19)20)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid?
2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid has a molecular weight of 301.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 166310369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).