1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid

C15H14N2O6 — CID 175785557

IUPAC1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H14N2O6/c18-12-9-5-1-2-6-10(9)13(19)17(12)23-15(22)16-8-4-3-7-11(16)14(20)21/h1-2,5-6,11H,3-4,7-8H2,(H,20,21)
InChIKeyJJWBOUZCOABARH-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.27
Rot. Bonds2

About 1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid

1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid (PubChem CID 175785557) has the molecular formula C15H14N2O6 and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid
PubChem CID175785557
Molecular FormulaC15H14N2O6
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Name1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H14N2O6/c18-12-9-5-1-2-6-10(9)13(19)17(12)23-15(22)16-8-4-3-7-11(16)14(20)21/h1-2,5-6,11H,3-4,7-8H2,(H,20,21)
InChIKeyJJWBOUZCOABARH-UHFFFAOYSA-N
XLogP1.27
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
1-O-tert-butyl 2-O-(1,3-dioxoisoindol-2-yl) pyrrolidine-1,2-dicarboxylate
CID 132533225
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 82224049
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
(1,3-dioxoisoindol-2-yl) 2-triethoxysilylazetidine-1-carboxylate
CID 59228644
(2R)-1-[3-(1,3-dioxoisoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 164643870
1-hydroxypyrrolidine-2,5-dione;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70459908
1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid
CID 120514917
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]azetidine-2-carboxylic acid
CID 14499798
1-(2-sulfanylbenzoyl)piperidine-2-carboxylic acid
CID 10422982
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid (CID 175785557) is 1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is JJWBOUZCOABARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6/c18-12-9-5-1-2-6-10(9)13(19)17(12)23-15(22)16-8-4-3-7-11(16)14(20)21/h1-2,5-6,11H,3-4,7-8H2,(H,20,21).
What are the key properties of 1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid?
1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 318.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 175785557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).