2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid

C10H9N3O4 — CID 82389538

IUPAC2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid
SMILESNC(C(=O)O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H9N3O4/c11-7(10(16)17)4-1-2-5-6(3-4)13-9(15)8(14)12-5/h1-3,7H,11H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyDKTHMGCQKVVVPC-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.70
Rot. Bonds2

About 2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid

2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid (PubChem CID 82389538) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid
PubChem CID82389538
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid
SMILESNC(C(=O)O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H9N3O4/c11-7(10(16)17)4-1-2-5-6(3-4)13-9(15)8(14)12-5/h1-3,7H,11H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyDKTHMGCQKVVVPC-UHFFFAOYSA-N
XLogP-0.70
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanoic acid
CID 117375297
6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61088243
2-amino-2-(2-oxo-1H-quinoxalin-6-yl)acetic acid
CID 117311810
5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide
CID 62933997
methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate
CID 60860320
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
(2S)-2-amino-2-(3,4-dihydroxyphenyl)acetic acid
CID 5310986
6-[amino(thiophen-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43464020
6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43186781
6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43823405
6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione
CID 62678408
6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43823397

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid?
The IUPAC name of 2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid (CID 82389538) is 2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid is NC(C(=O)O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid?
The InChIKey is DKTHMGCQKVVVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c11-7(10(16)17)4-1-2-5-6(3-4)13-9(15)8(14)12-5/h1-3,7H,11H2,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid?
2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid has a molecular weight of 235.20 g/mol, XLogP of -0.70, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid is sourced from PubChem (CID 82389538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).