2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid

C15H28N2O3 — CID 65265781

IUPAC2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid
SMILESCC(C)(NC(=O)CCC1CCCNC1)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-14(2,13(19)20)15(3,4)17-12(18)8-7-11-6-5-9-16-10-11/h11,16H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyHSLBBZVXNZFQPP-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.77
Rot. Bonds6

About 2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid

2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid (PubChem CID 65265781) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid
PubChem CID65265781
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid
SMILESCC(C)(NC(=O)CCC1CCCNC1)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-14(2,13(19)20)15(3,4)17-12(18)8-7-11-6-5-9-16-10-11/h11,16H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyHSLBBZVXNZFQPP-UHFFFAOYSA-N
XLogP1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic 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-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 66177244
4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid
CID 65286080
2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133383
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-3-ylpropanamide
CID 106350021
3-cyclopentyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
CID 103895541
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
N-(3,5-dimethylcyclohexyl)-3-piperidin-3-ylpropanamide
CID 64732320
N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
CID 83176255
N-[(1R)-1-cyclopentylethyl]-3-piperidin-3-ylpropanamide
CID 81390288
(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 107835993
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid (CID 65265781) is 2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid is CC(C)(NC(=O)CCC1CCCNC1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid?
The InChIKey is HSLBBZVXNZFQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,13(19)20)15(3,4)17-12(18)8-7-11-6-5-9-16-10-11/h11,16H,5-10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid?
2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid is sourced from PubChem (CID 65265781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).