piperidine-3-carboxylic acid

C6H11NO2 — CID 4498

IUPACpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCNC1
InChIInChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyXJLSEXAGTJCILF-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.07
Rot. Bonds1

About piperidine-3-carboxylic acid

piperidine-3-carboxylic acid (PubChem CID 4498) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is piperidine-3-carboxylic acid.

Molecular Properties

Compound Namepiperidine-3-carboxylic acid
PubChem CID4498
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namepiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCNC1
InChIInChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyXJLSEXAGTJCILF-UHFFFAOYSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Nipecotic acid, S-(+)-
CID 6575389
Ethyl nipecotate
CID 98969
(-)-Nipecotic acid
CID 1796510
1-methylpiperidine-3-carboxylic Acid
CID 2736937
ethyl (3R)-piperidine-3-carboxylate
CID 185582
Ethyl (3S)-piperidine-3-carboxylate
CID 187784
4-Piperidineacetic acid
CID 1512594
6-Oxopiperidine-3-carboxylic acid
CID 560090
(3R)-piperidine-3-carboxylate
CID 1796509
(3S,4R)-4-hydroxypiperidine-3-carboxylic acid
CID 21125089
4-Hydroxypiperidine-3-carboxylic acid
CID 10261211
2-Oxo-3-piperidinecarboxylic acid
CID 12388269

Frequently Asked Questions

What is the IUPAC name of piperidine-3-carboxylic acid?
The IUPAC name of piperidine-3-carboxylic acid (CID 4498) is piperidine-3-carboxylic acid.
What is the SMILES notation for piperidine-3-carboxylic acid?
The canonical SMILES for piperidine-3-carboxylic acid is O=C(O)C1CCCNC1.
What is the InChIKey of piperidine-3-carboxylic acid?
The InChIKey is XJLSEXAGTJCILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of piperidine-3-carboxylic acid?
piperidine-3-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3-carboxylic acid is sourced from PubChem (CID 4498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).