2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid

C14H15N3O4 — CID 64618803

IUPAC2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N2CC(=O)Nc3ccccc32)C1
InChIInChI=1S/C14H15N3O4/c18-12-8-17(11-4-2-1-3-10(11)15-12)14(21)16-6-9(7-16)5-13(19)20/h1-4,9H,5-8H2,(H,15,18)(H,19,20)
InChIKeyKVSMVPJEEXLHTN-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.97
Rot. Bonds2

About 2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid

2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64618803) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64618803
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N2CC(=O)Nc3ccccc32)C1
InChIInChI=1S/C14H15N3O4/c18-12-8-17(11-4-2-1-3-10(11)15-12)14(21)16-6-9(7-16)5-13(19)20/h1-4,9H,5-8H2,(H,15,18)(H,19,20)
InChIKeyKVSMVPJEEXLHTN-UHFFFAOYSA-N
XLogP0.97
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(thian-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 80708962
4-[2-(1,1-dioxothiolan-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 60669141
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
(3aR,7aS)-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7952020
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 7666372
(3S,4S)-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120953703
4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783324
4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8898891

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid (CID 64618803) is 2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)N2CC(=O)Nc3ccccc32)C1.
What is the InChIKey of 2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is KVSMVPJEEXLHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-12-8-17(11-4-2-1-3-10(11)15-12)14(21)16-6-9(7-16)5-13(19)20/h1-4,9H,5-8H2,(H,15,18)(H,19,20).
What are the key properties of 2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 289.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).