2-(2,3-dioxoazocan-1-yl)acetic acid

C9H13NO4 — CID 71430718

IUPAC2-(2,3-dioxoazocan-1-yl)acetic acid
SMILESO=C(O)CN1CCCCCC(=O)C1=O
InChIInChI=1S/C9H13NO4/c11-7-4-2-1-3-5-10(9(7)14)6-8(12)13/h1-6H2,(H,12,13)
InChIKeyIDGAIAMZLCLOSO-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.04
Rot. Bonds2

About 2-(2,3-dioxoazocan-1-yl)acetic acid

2-(2,3-dioxoazocan-1-yl)acetic acid (PubChem CID 71430718) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(2,3-dioxoazocan-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dioxoazocan-1-yl)acetic acid
PubChem CID71430718
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-(2,3-dioxoazocan-1-yl)acetic acid
SMILESO=C(O)CN1CCCCCC(=O)C1=O
InChIInChI=1S/C9H13NO4/c11-7-4-2-1-3-5-10(9(7)14)6-8(12)13/h1-6H2,(H,12,13)
InChIKeyIDGAIAMZLCLOSO-UHFFFAOYSA-N
XLogP0.04
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid
CID 146568343
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
2-(3-amino-2-oxoazonan-1-yl)acetic acid
CID 23322748
2-(4-oxo-7,8-dihydro-6H-thieno[3,2-c]azepin-5-yl)acetic acid
CID 50990565
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
2-(6-hydroxy-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)acetic acid
CID 115040649
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
4-hydroxy-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251297
cyclohexane-1,2-dione;propanedioic acid
CID 174543670
2-(7-fluoro-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)acetic acid
CID 115041933
2-(1-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[4,5-c]azepin-5-yl)acetic acid
CID 86820448
2-[2-[[2-(2-oxoazocan-1-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241925

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxoazocan-1-yl)acetic acid?
The IUPAC name of 2-(2,3-dioxoazocan-1-yl)acetic acid (CID 71430718) is 2-(2,3-dioxoazocan-1-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dioxoazocan-1-yl)acetic acid?
The canonical SMILES for 2-(2,3-dioxoazocan-1-yl)acetic acid is O=C(O)CN1CCCCCC(=O)C1=O.
What is the InChIKey of 2-(2,3-dioxoazocan-1-yl)acetic acid?
The InChIKey is IDGAIAMZLCLOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-7-4-2-1-3-5-10(9(7)14)6-8(12)13/h1-6H2,(H,12,13).
What are the key properties of 2-(2,3-dioxoazocan-1-yl)acetic acid?
2-(2,3-dioxoazocan-1-yl)acetic acid has a molecular weight of 199.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxoazocan-1-yl)acetic acid is sourced from PubChem (CID 71430718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).