2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid

C15H29N3O3 — CID 83018129

IUPAC2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-10(2)8-13(14(19)20)9-16-15(21)17-18-11(3)6-5-7-12(18)4/h10-13H,5-9H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyGBDTWVHRUIFEPH-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.21
Rot. Bonds6

About 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid

2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid (PubChem CID 83018129) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid
PubChem CID83018129
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-10(2)8-13(14(19)20)9-16-15(21)17-18-11(3)6-5-7-12(18)4/h10-13H,5-9H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyGBDTWVHRUIFEPH-UHFFFAOYSA-N
XLogP2.21
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid (CID 83018129) is 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)NN1C(C)CCCC1C)C(=O)O.
What is the InChIKey of 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid?
The InChIKey is GBDTWVHRUIFEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-10(2)8-13(14(19)20)9-16-15(21)17-18-11(3)6-5-7-12(18)4/h10-13H,5-9H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid?
2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid has a molecular weight of 299.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 83018129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).