3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid

C14H15N3O3 — CID 61007107

IUPAC3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H15N3O3/c1-2-17(8-7-13(18)19)14(20)12-9-15-10-5-3-4-6-11(10)16-12/h3-6,9H,2,7-8H2,1H3,(H,18,19)
InChIKeyASHONTSTZIVGQG-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.57
Rot. Bonds5

About 3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid

3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid (PubChem CID 61007107) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
PubChem CID61007107
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H15N3O3/c1-2-17(8-7-13(18)19)14(20)12-9-15-10-5-3-4-6-11(10)16-12/h3-6,9H,2,7-8H2,1H3,(H,18,19)
InChIKeyASHONTSTZIVGQG-UHFFFAOYSA-N
XLogP1.57
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide
CID 9489163
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide
CID 107356560
1-quinoxalin-2-ylbutan-1-one
CID 14895791
3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid
CID 63283146
N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide
CID 113265814
3-[ethyl(isoquinoline-4-carbonyl)amino]propanoic acid
CID 120516852
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-ethylamino]propanoic acid
CID 119191537
3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid
CID 61008095
3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120516584
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid (CID 61007107) is 3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of 3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid?
The InChIKey is ASHONTSTZIVGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-17(8-7-13(18)19)14(20)12-9-15-10-5-3-4-6-11(10)16-12/h3-6,9H,2,7-8H2,1H3,(H,18,19).
What are the key properties of 3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid?
3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61007107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).