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

C10H15NO3 — CID 130979256

IUPAC2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid
SMILESC=CC(=O)N1CCCC(C(=O)O)C1C
InChIInChI=1S/C10H15NO3/c1-3-9(12)11-6-4-5-8(7(11)2)10(13)14/h3,7-8H,1,4-6H2,2H3,(H,13,14)
InChIKeyXTNARUKUWOZFTE-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.88
Rot. Bonds2

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

2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid (PubChem CID 130979256) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid
PubChem CID130979256
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid
SMILESC=CC(=O)N1CCCC(C(=O)O)C1C
InChIInChI=1S/C10H15NO3/c1-3-9(12)11-6-4-5-8(7(11)2)10(13)14/h3,7-8H,1,4-6H2,2H3,(H,13,14)
InChIKeyXTNARUKUWOZFTE-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-enoylpyrrolidine-3-carboxylic acid
CID 79364112
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
CID 107069723
1-carbamoyl-2-methylpiperidine-3-carboxylic acid
CID 130961604
(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
(2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid
CID 122115293
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 166466257
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
(2S,3S)-2-methyl-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
CID 122114574
CID 157325729
CID 157325729
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
(2S,3S)-2-methyl-1-[methyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122104890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid (CID 130979256) is 2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid is C=CC(=O)N1CCCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid?
The InChIKey is XTNARUKUWOZFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-9(12)11-6-4-5-8(7(11)2)10(13)14/h3,7-8H,1,4-6H2,2H3,(H,13,14).
What are the key properties of 2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid?
2-methyl-1-prop-2-enoylpiperidine-3-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 2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid is sourced from PubChem (CID 130979256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).