2-[ethyl(quinoxalin-2-yl)amino]acetic acid

C12H13N3O2 — CID 55064040

IUPAC2-[ethyl(quinoxalin-2-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1cnc2ccccc2n1
InChIInChI=1S/C12H13N3O2/c1-2-15(8-12(16)17)11-7-13-9-5-3-4-6-10(9)14-11/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyRYMKWFUQFKVUTN-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.54
Rot. Bonds4

About 2-[ethyl(quinoxalin-2-yl)amino]acetic acid

2-[ethyl(quinoxalin-2-yl)amino]acetic acid (PubChem CID 55064040) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-[ethyl(quinoxalin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(quinoxalin-2-yl)amino]acetic acid
PubChem CID55064040
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-[ethyl(quinoxalin-2-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1cnc2ccccc2n1
InChIInChI=1S/C12H13N3O2/c1-2-15(8-12(16)17)11-7-13-9-5-3-4-6-10(9)14-11/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyRYMKWFUQFKVUTN-UHFFFAOYSA-N
XLogP1.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid
CID 62359121
2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid
CID 55064039
N'-ethyl-N'-quinoxalin-2-ylpropane-1,3-diamine
CID 62358578
ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate
CID 62358589
4-[methyl(quinoxalin-2-yl)amino]butanoic acid
CID 62361159
3-[ethyl(quinoxalin-2-yl)amino]-N'-hydroxypropanimidamide
CID 76941442
2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
CID 61012802
2-[(3-cyanoquinolin-4-yl)-ethylamino]acetic acid
CID 55028864
3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid
CID 141434982
3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
CID 61007107
2-[methyl(quinoxalin-2-yl)amino]propan-1-ol
CID 115765248
2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid
CID 43332286

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(quinoxalin-2-yl)amino]acetic acid?
The IUPAC name of 2-[ethyl(quinoxalin-2-yl)amino]acetic acid (CID 55064040) is 2-[ethyl(quinoxalin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(quinoxalin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(quinoxalin-2-yl)amino]acetic acid is CCN(CC(=O)O)c1cnc2ccccc2n1.
What is the InChIKey of 2-[ethyl(quinoxalin-2-yl)amino]acetic acid?
The InChIKey is RYMKWFUQFKVUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-15(8-12(16)17)11-7-13-9-5-3-4-6-10(9)14-11/h3-7H,2,8H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl(quinoxalin-2-yl)amino]acetic acid?
2-[ethyl(quinoxalin-2-yl)amino]acetic acid has a molecular weight of 231.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(quinoxalin-2-yl)amino]acetic acid is sourced from PubChem (CID 55064040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).