2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid

C11H19NO2 — CID 130492263

IUPAC2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid
SMILESC=CC(C(=O)O)N1CCCC(C)C1C
InChIInChI=1S/C11H19NO2/c1-4-10(11(13)14)12-7-5-6-8(2)9(12)3/h4,8-10H,1,5-7H2,2-3H3,(H,13,14)
InChIKeyYLMJSHGFCQSFGF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds3

About 2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid

2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid (PubChem CID 130492263) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid
PubChem CID130492263
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid
SMILESC=CC(C(=O)O)N1CCCC(C)C1C
InChIInChI=1S/C11H19NO2/c1-4-10(11(13)14)12-7-5-6-8(2)9(12)3/h4,8-10H,1,5-7H2,2-3H3,(H,13,14)
InChIKeyYLMJSHGFCQSFGF-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
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

2-(4-hydroxyazepan-1-yl)but-3-enoic acid
CID 130608672
1-but-3-en-2-yl-2,3-dimethylpyrrolidine
CID 130639146
2-(3-cyanopiperidin-1-yl)but-3-enoic acid
CID 164650468
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
2-(2,3-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62125367
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525
N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62122801
2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)but-3-enoic acid
CID 130533557
1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071884
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
CID 107069723
4-(2,3-dimethylpiperidin-1-yl)pentan-2-amine
CID 64707838

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid (CID 130492263) is 2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid is C=CC(C(=O)O)N1CCCC(C)C1C.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid?
The InChIKey is YLMJSHGFCQSFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-10(11(13)14)12-7-5-6-8(2)9(12)3/h4,8-10H,1,5-7H2,2-3H3,(H,13,14).
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid?
2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid is sourced from PubChem (CID 130492263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).