2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid

C13H26N2O2 — CID 113292330

IUPAC2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid
SMILESCCC(NCCCN1CCC(C)CC1)C(=O)O
InChIInChI=1S/C13H26N2O2/c1-3-12(13(16)17)14-7-4-8-15-9-5-11(2)6-10-15/h11-12,14H,3-10H2,1-2H3,(H,16,17)
InChIKeyYBBOHRZDHHFDSH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.56
Rot. Bonds7

About 2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid

2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid (PubChem CID 113292330) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid.

Molecular Properties

Compound Name2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid
PubChem CID113292330
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid
SMILESCCC(NCCCN1CCC(C)CC1)C(=O)O
InChIInChI=1S/C13H26N2O2/c1-3-12(13(16)17)14-7-4-8-15-9-5-11(2)6-10-15/h11-12,14H,3-10H2,1-2H3,(H,16,17)
InChIKeyYBBOHRZDHHFDSH-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(4-methylpiperidin-1-yl)propylamino]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

N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine
CID 115709722
methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate
CID 115353237
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285
(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide
CID 33481434
3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63623597
methanesulfonic acid;4-methyl-1-propylpiperidine
CID 175583558
2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
CID 43205645
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid
CID 43362077
6-(4-methylpiperidin-1-yl)hexan-3-ol
CID 106802233
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid?
The IUPAC name of 2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid (CID 113292330) is 2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid.
What is the SMILES notation for 2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid?
The canonical SMILES for 2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid is CCC(NCCCN1CCC(C)CC1)C(=O)O.
What is the InChIKey of 2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid?
The InChIKey is YBBOHRZDHHFDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-12(13(16)17)14-7-4-8-15-9-5-11(2)6-10-15/h11-12,14H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid?
2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid is sourced from PubChem (CID 113292330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).