2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid

C16H17N3O4 — CID 120518751

IUPAC2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid
SMILESCN(C(=O)c1cccc(Oc2cnccn2)c1)C(C)(C)C(=O)O
InChIInChI=1S/C16H17N3O4/c1-16(2,15(21)22)19(3)14(20)11-5-4-6-12(9-11)23-13-10-17-7-8-18-13/h4-10H,1-3H3,(H,21,22)
InChIKeyBLGXOMQTDNJQDY-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.20
Rot. Bonds5

About 2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid

2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid (PubChem CID 120518751) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid
PubChem CID120518751
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid
SMILESCN(C(=O)c1cccc(Oc2cnccn2)c1)C(C)(C)C(=O)O
InChIInChI=1S/C16H17N3O4/c1-16(2,15(21)22)19(3)14(20)11-5-4-6-12(9-11)23-13-10-17-7-8-18-13/h4-10H,1-3H3,(H,21,22)
InChIKeyBLGXOMQTDNJQDY-UHFFFAOYSA-N
XLogP2.20
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid (CID 120518751) is 2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid is CN(C(=O)c1cccc(Oc2cnccn2)c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid?
The InChIKey is BLGXOMQTDNJQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-16(2,15(21)22)19(3)14(20)11-5-4-6-12(9-11)23-13-10-17-7-8-18-13/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid?
2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid has a molecular weight of 315.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 120518751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).