2-piperidin-2-ylpropanoic acid

C8H15NO2 — CID 18379199

IUPAC2-piperidin-2-ylpropanoic acid
SMILESCC(C(=O)O)C1CCCCN1
InChIInChI=1S/C8H15NO2/c1-6(8(10)11)7-4-2-3-5-9-7/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyVPFKXQPGMUEDNR-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds2

About 2-piperidin-2-ylpropanoic acid

2-piperidin-2-ylpropanoic acid (PubChem CID 18379199) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-piperidin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-piperidin-2-ylpropanoic acid
PubChem CID18379199
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-piperidin-2-ylpropanoic acid
SMILESCC(C(=O)O)C1CCCCN1
InChIInChI=1S/C8H15NO2/c1-6(8(10)11)7-4-2-3-5-9-7/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyVPFKXQPGMUEDNR-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-piperidin-2-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Piperidin-2-yl)acetic acid
CID 3164325
2-(Piperidin-2-yl)acetic acid hydrochloride
CID 12514712
4-(Piperidin-4-yl)butanoic acid
CID 5167702
trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 14901341
(S)-2-(Piperidin-2-yl)acetic acid
CID 854351
4-(2-Methylpiperidin-4-yl)butanoic acid--hydrogen chloride (1/1)
CID 3051311
2-((2S)-piperidin-2-yl)acetic acid hydrochloride
CID 118235722
cis-(1R,2S)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 14901340
(3R,4S)-4-butylpiperidine-3-carboxylic acid
CID 127029855
4-Methyl-6-(2-oxobutyl)-2-piperidinecarboxylic acid
CID 194574
Methyl 2-(5,5-dimethylpiperidin-2-yl)acetate hydrochloride
CID 137944063
rac-(2R,5R)-5-(2-methylpropyl)piperidine-2-carboxylic acid
CID 145912997

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-ylpropanoic acid?
The IUPAC name of 2-piperidin-2-ylpropanoic acid (CID 18379199) is 2-piperidin-2-ylpropanoic acid.
What is the SMILES notation for 2-piperidin-2-ylpropanoic acid?
The canonical SMILES for 2-piperidin-2-ylpropanoic acid is CC(C(=O)O)C1CCCCN1.
What is the InChIKey of 2-piperidin-2-ylpropanoic acid?
The InChIKey is VPFKXQPGMUEDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(8(10)11)7-4-2-3-5-9-7/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-piperidin-2-ylpropanoic acid?
2-piperidin-2-ylpropanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-ylpropanoic acid is sourced from PubChem (CID 18379199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).