1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid

C14H19NO5 — CID 115918202

IUPAC1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CC3CC3C2)CC1C(=O)O
InChIInChI=1S/C14H19NO5/c16-12(9-4-7-3-8(7)5-9)15-2-1-10(13(17)18)11(6-15)14(19)20/h7-11H,1-6H2,(H,17,18)(H,19,20)
InChIKeyGNONJJDTKMVDKT-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.67
Rot. Bonds3

About 1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid

1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918202) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918202
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CC3CC3C2)CC1C(=O)O
InChIInChI=1S/C14H19NO5/c16-12(9-4-7-3-8(7)5-9)15-2-1-10(13(17)18)11(6-15)14(19)20/h7-11H,1-6H2,(H,17,18)(H,19,20)
InChIKeyGNONJJDTKMVDKT-UHFFFAOYSA-N
XLogP0.67
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid
CID 122129406
1-prop-2-enoylpiperidine-3,4-dicarboxylic acid
CID 112567977
1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918481
1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918284
3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671271
2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813626
1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918403
1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
CID 112568085
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918579
2-[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197641
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239

Frequently Asked Questions

What is the IUPAC name of 1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid (CID 115918202) is 1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid is O=C(O)C1CCN(C(=O)C2CC3CC3C2)CC1C(=O)O.
What is the InChIKey of 1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is GNONJJDTKMVDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c16-12(9-4-7-3-8(7)5-9)15-2-1-10(13(17)18)11(6-15)14(19)20/h7-11H,1-6H2,(H,17,18)(H,19,20).
What are the key properties of 1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).