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

C10H17NO2 — CID 79896883

IUPAC3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid
SMILESCC1(C)CCCN(C=CC(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-10(2)5-3-6-11(8-10)7-4-9(12)13/h4,7H,3,5-6,8H2,1-2H3,(H,12,13)
InChIKeyDQXCBOXTJYAXMU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.71
Rot. Bonds2

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

3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid (PubChem CID 79896883) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid
PubChem CID79896883
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid
SMILESCC1(C)CCCN(C=CC(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-10(2)5-3-6-11(8-10)7-4-9(12)13/h4,7H,3,5-6,8H2,1-2H3,(H,12,13)
InChIKeyDQXCBOXTJYAXMU-UHFFFAOYSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.71
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

(E)-3-piperidin-1-ylprop-2-enoic acid
CID 21292232
(E)-3-(7,7-dimethyl-1-oxo-1,4-thiazepan-4-yl)prop-2-enoic acid
CID 131237495
3-(2-methyl-1,4-oxazepan-4-yl)prop-2-enoic acid
CID 79896090
3-[5-[(3,3-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]prop-2-enoic acid
CID 77016538
3-[3-(3,3-dimethylpiperidine-1-carbonyl)phenyl]prop-2-enoic acid
CID 77016560
(2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid
CID 141351286
(E)-3-(3-methoxyazetidin-1-yl)prop-2-enoic acid
CID 130547619
3,3-dimethyl-1-oxidopiperidine
CID 87114424
3-(3,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid
CID 164650526
3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid
CID 79895989
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)prop-2-enoic acid
CID 79896700
2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734687

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid?
The IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid (CID 79896883) is 3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid?
The canonical SMILES for 3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid is CC1(C)CCCN(C=CC(=O)O)C1.
What is the InChIKey of 3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid?
The InChIKey is DQXCBOXTJYAXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2)5-3-6-11(8-10)7-4-9(12)13/h4,7H,3,5-6,8H2,1-2H3,(H,12,13).
What are the key properties of 3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid?
3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpiperidin-1-yl)prop-2-enoic acid is sourced from PubChem (CID 79896883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).