6-oxo-4-pentylpiperidine-3-carboxylic acid

C11H19NO3 — CID 70033566

IUPAC6-oxo-4-pentylpiperidine-3-carboxylic acid
SMILESCCCCCC1CC(=O)NCC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-8-6-10(13)12-7-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyJMPICNMGSWQPJW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds5

About 6-oxo-4-pentylpiperidine-3-carboxylic acid

6-oxo-4-pentylpiperidine-3-carboxylic acid (PubChem CID 70033566) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-oxo-4-pentylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-4-pentylpiperidine-3-carboxylic acid
PubChem CID70033566
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name6-oxo-4-pentylpiperidine-3-carboxylic acid
SMILESCCCCCC1CC(=O)NCC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-8-6-10(13)12-7-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyJMPICNMGSWQPJW-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-Oxo-4-(prop-2-en-1-ylamino)butan-2-yl]heptanoic acid
CID 657736
2-(4-(Cyclohexylamino)-4-oxobutan-2-yl)heptanoic acid
CID 657819
2-[4-(Cyclohexylamino)-4-oxobutan-2-yl]-5-methylhexanoic acid
CID 2959256
(3R,4S)-4-butylpiperidine-3-carboxylic acid
CID 127029855
3-(6-Oxopiperidin-3-yl)propanoic acid
CID 42609247
4,4-Dimethyl-6-oxopiperidine-3-carboxylic acid
CID 84654076
5-Ethyl-2-oxo-4-piperidineacetic acid
CID 195008
5-(2-Carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid
CID 14557706
4-Oxo-3-azabicyclo[3.3.1]nonane-1-carboxylic acid
CID 165870969
2-[3-(Cyclohexylamino)-1-methyl-3-oxopropyl]hexanoic acid
CID 3125314
(3R)-3-[(3R)-2-oxopiperidin-3-yl]butanoic acid
CID 11106038
(2R,4R)-5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid
CID 14557708

Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-pentylpiperidine-3-carboxylic acid?
The IUPAC name of 6-oxo-4-pentylpiperidine-3-carboxylic acid (CID 70033566) is 6-oxo-4-pentylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-4-pentylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-oxo-4-pentylpiperidine-3-carboxylic acid is CCCCCC1CC(=O)NCC1C(=O)O.
What is the InChIKey of 6-oxo-4-pentylpiperidine-3-carboxylic acid?
The InChIKey is JMPICNMGSWQPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-4-5-8-6-10(13)12-7-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 6-oxo-4-pentylpiperidine-3-carboxylic acid?
6-oxo-4-pentylpiperidine-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-pentylpiperidine-3-carboxylic acid is sourced from PubChem (CID 70033566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).