1-(2-carboxyphenyl)piperidine-4-carboxylic acid

C13H15NO4 — CID 82537864

IUPAC1-(2-carboxyphenyl)piperidine-4-carboxylic acid
SMILESO=C(O)c1ccccc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H15NO4/c15-12(16)9-5-7-14(8-6-9)11-4-2-1-3-10(11)13(17)18/h1-4,9H,5-8H2,(H,15,16)(H,17,18)
InChIKeyHURYXCYRVYHJTR-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.69
Rot. Bonds3

About 1-(2-carboxyphenyl)piperidine-4-carboxylic acid

1-(2-carboxyphenyl)piperidine-4-carboxylic acid (PubChem CID 82537864) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(2-carboxyphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-carboxyphenyl)piperidine-4-carboxylic acid
PubChem CID82537864
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-(2-carboxyphenyl)piperidine-4-carboxylic acid
SMILESO=C(O)c1ccccc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H15NO4/c15-12(16)9-5-7-14(8-6-9)11-4-2-1-3-10(11)13(17)18/h1-4,9H,5-8H2,(H,15,16)(H,17,18)
InChIKeyHURYXCYRVYHJTR-UHFFFAOYSA-N
XLogP1.69
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
1-(2-carboxyphenyl)piperidine-3-carboxylic acid
CID 82537818
2-(4-cyclopropylpiperazin-1-yl)benzoic acid
CID 28802166
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
CID 102958633
2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
2-(3-fluoroazetidin-1-yl)benzoic acid
CID 105448715
2-(3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
CID 83819594
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]benzoic acid
CID 129494363
2-[(3S)-3-[(1S)-1-hydroxyethyl]pyrrolidin-1-yl]benzoic acid
CID 129393692
(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxyphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-carboxyphenyl)piperidine-4-carboxylic acid (CID 82537864) is 1-(2-carboxyphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-carboxyphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-carboxyphenyl)piperidine-4-carboxylic acid is O=C(O)c1ccccc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-carboxyphenyl)piperidine-4-carboxylic acid?
The InChIKey is HURYXCYRVYHJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(16)9-5-7-14(8-6-9)11-4-2-1-3-10(11)13(17)18/h1-4,9H,5-8H2,(H,15,16)(H,17,18).
What are the key properties of 1-(2-carboxyphenyl)piperidine-4-carboxylic acid?
1-(2-carboxyphenyl)piperidine-4-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxyphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82537864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).