2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid

C11H19NO2 — CID 62690092

IUPAC2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid
SMILESC=CC(C)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-3-9(2)12-6-4-5-10(8-12)7-11(13)14/h3,9-10H,1,4-8H2,2H3,(H,13,14)
InChIKeyHLMGARVNXNRWPA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds4

About 2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid

2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid (PubChem CID 62690092) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid
PubChem CID62690092
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid
SMILESC=CC(C)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-3-9(2)12-6-4-5-10(8-12)7-11(13)14/h3,9-10H,1,4-8H2,2H3,(H,13,14)
InChIKeyHLMGARVNXNRWPA-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
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

(1R,5S)-5-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 46175440
(1S,5R)-5-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 46175522
Rac-cis-5-(4-methyl-piperazin-1-yl)-cyclohex-3-ene-carboxylic acid
CID 46175620
2-(1-Isopropylpiperidin-3-yl)acetic acid
CID 53408611
1-Pent-4-en-2-ylpiperidine-4-carboxylic acid
CID 54516588
(1S,5S)-5-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 58543997
3-(3-Ethenyl-1-pentylpiperidin-4-yl)propanoic acid
CID 68148628
1-[(2-Methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-4-carboxylic acid
CID 69538275
(5S)-5-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 70920666
5-(4-Methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 70920706
(5R)-5-(4-methylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid
CID 70920715
2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 86324354

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid (CID 62690092) is 2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid is C=CC(C)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid?
The InChIKey is HLMGARVNXNRWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-9(2)12-6-4-5-10(8-12)7-11(13)14/h3,9-10H,1,4-8H2,2H3,(H,13,14).
What are the key properties of 2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid?
2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-3-en-2-ylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 62690092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).