3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid

C13H26N2O2 — CID 117005069

IUPAC3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)15-8-5-6-11(10-15)14(4)9-7-12(16)17/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyKUQVCXKEGIQAAD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.66
Rot. Bonds4

About 3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid

3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid (PubChem CID 117005069) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid
PubChem CID117005069
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)15-8-5-6-11(10-15)14(4)9-7-12(16)17/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyKUQVCXKEGIQAAD-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic 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

3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid
CID 79670643
3-[methyl-[1-(3-methylbutyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004327
1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one
CID 62622965
3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 166567303
4-[methyl-(1-propan-2-ylazepan-4-yl)amino]butanoic acid
CID 65076652
3-[methyl-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004318
4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide
CID 118531389
1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide
CID 58877729
N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide
CID 96522063
1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine
CID 163734387

Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid?
The IUPAC name of 3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid (CID 117005069) is 3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid is CN(CCC(=O)O)C1CCCN(C(C)(C)C)C1.
What is the InChIKey of 3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid?
The InChIKey is KUQVCXKEGIQAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)15-8-5-6-11(10-15)14(4)9-7-12(16)17/h11H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid?
3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid is sourced from PubChem (CID 117005069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).