4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide

C12H12N2O5 — CID 171899954

IUPAC4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cccc2c1NC(=O)C2=O
InChIInChI=1S/C12H12N2O5/c13-8(16)4-7(15)10(17)5-2-1-3-6-9(5)14-12(19)11(6)18/h1-3,7,10,15,17H,4H2,(H2,13,16)(H,14,18,19)
InChIKeyPTPJXGXRGDGHMB-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.91
Rot. Bonds4

About 4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide

4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide (PubChem CID 171899954) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide
PubChem CID171899954
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cccc2c1NC(=O)C2=O
InChIInChI=1S/C12H12N2O5/c13-8(16)4-7(15)10(17)5-2-1-3-6-9(5)14-12(19)11(6)18/h1-3,7,10,15,17H,4H2,(H2,13,16)(H,14,18,19)
InChIKeyPTPJXGXRGDGHMB-UHFFFAOYSA-N
XLogP-0.91
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

S-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl] ethanethioate
CID 170822714
benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate
CID 171856702
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
3,4-dihydroxy-4-(1H-indol-4-yl)butanamide
CID 171899347
3,4-dihydroxy-4-(2-methylsulfonylphenyl)butanamide
CID 171899451
3-(4-amino-1,2-dihydroxy-4-oxobutyl)-2-fluorobenzoic acid
CID 171899442
3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide
CID 171899043
3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-7-yl)butanoic acid
CID 171877907
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
4-(3-formyl-1H-indol-4-yl)-3,4-dihydroxybutanamide
CID 171899970

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide (CID 171899954) is 4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1cccc2c1NC(=O)C2=O.
What is the InChIKey of 4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide?
The InChIKey is PTPJXGXRGDGHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c13-8(16)4-7(15)10(17)5-2-1-3-6-9(5)14-12(19)11(6)18/h1-3,7,10,15,17H,4H2,(H2,13,16)(H,14,18,19).
What are the key properties of 4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide?
4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide has a molecular weight of 264.24 g/mol, XLogP of -0.91, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).