4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid

C16H17N3O5 — CID 120703222

IUPAC4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1cccc(Oc2cnccn2)c1)C(=O)O
InChIInChI=1S/C16H17N3O5/c1-23-8-5-13(16(21)22)19-15(20)11-3-2-4-12(9-11)24-14-10-17-6-7-18-14/h2-4,6-7,9-10,13H,5,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyYPQCYABTNVWVNQ-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.49
Rot. Bonds8

About 4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid

4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid (PubChem CID 120703222) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid
PubChem CID120703222
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1cccc(Oc2cnccn2)c1)C(=O)O
InChIInChI=1S/C16H17N3O5/c1-23-8-5-13(16(21)22)19-15(20)11-3-2-4-12(9-11)24-14-10-17-6-7-18-14/h2-4,6-7,9-10,13H,5,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyYPQCYABTNVWVNQ-UHFFFAOYSA-N
XLogP1.49
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
CID 62921331
N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide
CID 86813885
N-(2-amino-2-methylpropyl)-3-pyrazin-2-yloxybenzamide
CID 119628152
N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 86813884
N-[2-(ethylamino)ethyl]-3-pyrazin-2-yloxybenzamide
CID 119506992
2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 114036636
5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrazin-2-yloxybenzamide
CID 126767088
N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide
CID 119607218
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
CID 62480013
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
(2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099236

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid (CID 120703222) is 4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid is COCCC(NC(=O)c1cccc(Oc2cnccn2)c1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid?
The InChIKey is YPQCYABTNVWVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-23-8-5-13(16(21)22)19-15(20)11-3-2-4-12(9-11)24-14-10-17-6-7-18-14/h2-4,6-7,9-10,13H,5,8H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid?
4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid has a molecular weight of 331.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 120703222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).