3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid

C11H11NO5 — CID 43447565

IUPAC3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1C(=O)CCCC1=O
InChIInChI=1S/C11H11NO5/c13-8-2-1-3-9(14)12(8)6-7-4-5-17-10(7)11(15)16/h4-5H,1-3,6H2,(H,15,16)
InChIKeyMBYVLRPZEMAZCZ-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.02
Rot. Bonds3

About 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid

3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 43447565) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID43447565
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1C(=O)CCCC1=O
InChIInChI=1S/C11H11NO5/c13-8-2-1-3-9(14)12(8)6-7-4-5-17-10(7)11(15)16/h4-5H,1-3,6H2,(H,15,16)
InChIKeyMBYVLRPZEMAZCZ-UHFFFAOYSA-N
XLogP1.02
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyfuran-3-yl-methyl)-5-methylpyrimidine-2,4-dione
CID 16125157
1-(furan-2-carbonyl)piperidine-4-carboxylic Acid
CID 1132657
1-(3-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyfuran-3-ylmethyl)pyrimidine-2,4-dione
CID 11544327
5-Methyl-4-(morpholinomethyl)furan-2-carboxylic acid
CID 586899
3-(Piperazin-1-ylmethyl)furan-2-carboxylic acid dihydrochloride
CID 50988437
3-((Dimethylamino)methyl)furan-2-carboxylic acid hydrochloride
CID 102555191
5-Methyl-4-piperidin-1-ylmethyl-furan-2-carboxylic acid
CID 802938
1-(5-Formylfuran-2-yl)piperidine-4-carboxylic acid
CID 39196876
3-[[4-[(2,3-Difluorophenyl)methyl]piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 138032661
3-[(Dimethylamino)methyl]furan-2-carboxylic acid
CID 43153221
(Furoylamino-methyl)furancarboxylic
CID 129763900

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid (CID 43447565) is 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid is O=C(O)c1occc1CN1C(=O)CCCC1=O.
What is the InChIKey of 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is MBYVLRPZEMAZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c13-8-2-1-3-9(14)12(8)6-7-4-5-17-10(7)11(15)16/h4-5H,1-3,6H2,(H,15,16).
What are the key properties of 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid?
3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 43447565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).