1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C14H15N3O4 — CID 107435559

IUPAC1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C1CNC(C(=O)N2c3ccccc3CC2C(=O)O)CN1
InChIInChI=1S/C14H15N3O4/c18-12-7-15-9(6-16-12)13(19)17-10-4-2-1-3-8(10)5-11(17)14(20)21/h1-4,9,11,15H,5-7H2,(H,16,18)(H,20,21)
InChIKeyKDFAIYATTCRBRT-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.88
Rot. Bonds2

About 1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid

1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 107435559) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID107435559
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C1CNC(C(=O)N2c3ccccc3CC2C(=O)O)CN1
InChIInChI=1S/C14H15N3O4/c18-12-7-15-9(6-16-12)13(19)17-10-4-2-1-3-8(10)5-11(17)14(20)21/h1-4,9,11,15H,5-7H2,(H,16,18)(H,20,21)
InChIKeyKDFAIYATTCRBRT-UHFFFAOYSA-N
XLogP-0.88
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(azepane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 64563855
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143649
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
(2S)-1-(oxolane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143791
1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 43359816
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226
1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764223
(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61187329
(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 65270017
1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61210037

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 107435559) is 1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid is O=C1CNC(C(=O)N2c3ccccc3CC2C(=O)O)CN1.
What is the InChIKey of 1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is KDFAIYATTCRBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-12-7-15-9(6-16-12)13(19)17-10-4-2-1-3-8(10)5-11(17)14(20)21/h1-4,9,11,15H,5-7H2,(H,16,18)(H,20,21).
What are the key properties of 1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxopiperazine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 107435559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).