3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid

C11H22N2O2 — CID 106633804

IUPAC3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid
SMILESCC(C)C(NCC1CCCCN1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-8(2)10(11(14)15)13-7-9-5-3-4-6-12-9/h8-10,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyFZMDUQGSLBIKSI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.83
Rot. Bonds5

About 3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid

3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid (PubChem CID 106633804) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid
PubChem CID106633804
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid
SMILESCC(C)C(NCC1CCCCN1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-8(2)10(11(14)15)13-7-9-5-3-4-6-12-9/h8-10,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyFZMDUQGSLBIKSI-UHFFFAOYSA-N
XLogP0.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(piperidin-2-ylmethylamino)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

methyl (2S)-3-methyl-2-(piperidin-2-ylmethylamino)butanoate
CID 106633362
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
3-(piperidin-2-ylmethylamino)butanamide
CID 106634453
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
N-(2-methoxyethyl)-2-(piperidin-2-ylmethylamino)propanamide
CID 106634334
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol
CID 106349015
tert-butyl N-[2-(piperidin-2-ylmethylamino)propyl]carbamate
CID 107248267
2-methyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106638144
2-(2-cyclopentylethylamino)-3-methylbutanoic acid
CID 103240062

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid (CID 106633804) is 3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid is CC(C)C(NCC1CCCCN1)C(=O)O.
What is the InChIKey of 3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid?
The InChIKey is FZMDUQGSLBIKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(11(14)15)13-7-9-5-3-4-6-12-9/h8-10,12-13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid?
3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid is sourced from PubChem (CID 106633804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).