2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid

C10H9N3O3 — CID 117311810

IUPAC2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid
SMILESNC(C(=O)O)c1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C10H9N3O3/c11-9(10(15)16)5-1-2-6-7(3-5)12-4-8(14)13-6/h1-4,9H,11H2,(H,13,14)(H,15,16)
InChIKeyMEBNPWWHGUMJGW-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.01
Rot. Bonds2

About 2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid

2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid (PubChem CID 117311810) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid
PubChem CID117311810
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid
SMILESNC(C(=O)O)c1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C10H9N3O3/c11-9(10(15)16)5-1-2-6-7(3-5)12-4-8(14)13-6/h1-4,9H,11H2,(H,13,14)(H,15,16)
InChIKeyMEBNPWWHGUMJGW-UHFFFAOYSA-N
XLogP0.01
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate
CID 117372969
3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid
CID 117399042
2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid
CID 82389538
4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoic acid
CID 19849120
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
1H-quinoxalin-2-one;dihydrochloride
CID 141445979
(2S)-2-amino-2-(3,4-dihydroxyphenyl)acetic acid
CID 5310986
5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid
CID 130679702
2-amino-2-(3-methylisoquinolin-7-yl)acetic acid
CID 117308063
6-(5-amino-1,2-oxazol-4-yl)-1H-quinoxalin-2-one
CID 117328322
6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one
CID 167066942
6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one
CID 117330714

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid (CID 117311810) is 2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid is NC(C(=O)O)c1ccc2[nH]c(=O)cnc2c1.
What is the InChIKey of 2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid?
The InChIKey is MEBNPWWHGUMJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-9(10(15)16)5-1-2-6-7(3-5)12-4-8(14)13-6/h1-4,9H,11H2,(H,13,14)(H,15,16).
What are the key properties of 2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid?
2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid has a molecular weight of 219.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid is sourced from PubChem (CID 117311810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).