3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid

C10H15NO3 — CID 107069723

IUPAC3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
SMILESC=CC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C10H15NO3/c1-3-8(12)11-6-4-5-7(2)9(11)10(13)14/h3,7,9H,1,4-6H2,2H3,(H,13,14)
InChIKeyDIKIRENZWJZCOZ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.88
Rot. Bonds2

About 3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid

3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid (PubChem CID 107069723) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
PubChem CID107069723
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
SMILESC=CC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C10H15NO3/c1-3-8(12)11-6-4-5-7(2)9(11)10(13)14/h3,7,9H,1,4-6H2,2H3,(H,13,14)
InChIKeyDIKIRENZWJZCOZ-UHFFFAOYSA-N
XLogP0.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid
CID 130979256
1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071884
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978
3-methyl-1-prop-2-ynoylpiperidine-2-carboxylic acid
CID 107069872
3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071903
(2R,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 163339159
3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599
3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
CID 107070014
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069137
methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 166466257
2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid
CID 79364112

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid (CID 107069723) is 3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid is C=CC(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid?
The InChIKey is DIKIRENZWJZCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-8(12)11-6-4-5-7(2)9(11)10(13)14/h3,7,9H,1,4-6H2,2H3,(H,13,14).
What are the key properties of 3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid?
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).