1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid

C11H19NO2 — CID 43441382

IUPAC1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid
SMILESCC(C)=CCN1CCCCC1C(=O)O
InChIInChI=1S/C11H19NO2/c1-9(2)6-8-12-7-4-3-5-10(12)11(13)14/h6,10H,3-5,7-8H2,1-2H3,(H,13,14)
InChIKeyVOQKMKBCVFPBPZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.89
Rot. Bonds3

About 1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid

1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid (PubChem CID 43441382) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid
PubChem CID43441382
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid
SMILESCC(C)=CCN1CCCCC1C(=O)O
InChIInChI=1S/C11H19NO2/c1-9(2)6-8-12-7-4-3-5-10(12)11(13)14/h6,10H,3-5,7-8H2,1-2H3,(H,13,14)
InChIKeyVOQKMKBCVFPBPZ-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 167424359
1-(3-chloroprop-2-enyl)azepane-2-carboxylic acid
CID 77047205
1-(3-chloro-2-methylprop-2-enyl)azepane-2-carboxylic acid
CID 106439274
3-[1-(3-methylbut-2-enyl)piperidin-2-yl]propanoic acid
CID 62218206
(2S)-1-(2,2-dimethylpropyl)piperidine-2-carboxylic acid
CID 139572604
1-(2-deuterioethyl)piperidine-2-carboxylic acid
CID 139894502
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxylic acid
CID 155262305
[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176103
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid (CID 43441382) is 1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid is CC(C)=CCN1CCCCC1C(=O)O.
What is the InChIKey of 1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid?
The InChIKey is VOQKMKBCVFPBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)6-8-12-7-4-3-5-10(12)11(13)14/h6,10H,3-5,7-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid?
1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43441382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).