5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid

C17H34N2O2 — CID 106806133

IUPAC5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCN1CCCC(C)C1C)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-5-11-18-17(6-2,16(20)21)10-8-13-19-12-7-9-14(3)15(19)4/h14-15,18H,5-13H2,1-4H3,(H,20,21)
InChIKeyOKKSAEIOQKKKQC-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.12
Rot. Bonds9

About 5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid

5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid (PubChem CID 106806133) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
PubChem CID106806133
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCN1CCCC(C)C1C)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-5-11-18-17(6-2,16(20)21)10-8-13-19-12-7-9-14(3)15(19)4/h14-15,18H,5-13H2,1-4H3,(H,20,21)
InChIKeyOKKSAEIOQKKKQC-UHFFFAOYSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic 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-(Ethylamino)-2-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 65530447
2-Methyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 65531214
2-(Ethylamino)-2-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 65532185
2-Methyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 65532576
2-Ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 106805881
2-Ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 106805904
2-Ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 106805905
2-Ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 106805907
2-Ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 106806340
2-Ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 106806344
2-Ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 106806346
5-[2,2-Difluoroethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 113879080

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid (CID 106806133) is 5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid is CCCNC(CC)(CCCN1CCCC(C)C1C)C(=O)O.
What is the InChIKey of 5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid?
The InChIKey is OKKSAEIOQKKKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-11-18-17(6-2,16(20)21)10-8-13-19-12-7-9-14(3)15(19)4/h14-15,18H,5-13H2,1-4H3,(H,20,21).
What are the key properties of 5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid?
5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid has a molecular weight of 298.47 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 106806133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).