2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid

C14H19N3O3 — CID 63778095

IUPAC2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C14H19N3O3/c1-3-16(10-13(18)19)14(20)17-9-8-15(2)11-6-4-5-7-12(11)17/h4-7H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyWQGZBVOLDSZKAH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.47
Rot. Bonds3

About 2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid

2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid (PubChem CID 63778095) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid
PubChem CID63778095
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C14H19N3O3/c1-3-16(10-13(18)19)14(20)17-9-8-15(2)11-6-4-5-7-12(11)17/h4-7H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyWQGZBVOLDSZKAH-UHFFFAOYSA-N
XLogP1.47
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid (CID 63778095) is 2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)N1CCN(C)c2ccccc21.
What is the InChIKey of 2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid?
The InChIKey is WQGZBVOLDSZKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-16(10-13(18)19)14(20)17-9-8-15(2)11-6-4-5-7-12(11)17/h4-7H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid?
2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 63778095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).