2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid

C14H27N3O3 — CID 83019830

IUPAC2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)NN1C(C)CCCC1C)C(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-6-16(14(4,5)12(18)19)13(20)15-17-10(2)8-7-9-11(17)3/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyFLHMYQZCYOOSEL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.06
Rot. Bonds4

About 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid

2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid (PubChem CID 83019830) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
PubChem CID83019830
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)NN1C(C)CCCC1C)C(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-6-16(14(4,5)12(18)19)13(20)15-17-10(2)8-7-9-11(17)3/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyFLHMYQZCYOOSEL-UHFFFAOYSA-N
XLogP2.06
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid (CID 83019830) is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid is CCN(C(=O)NN1C(C)CCCC1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is FLHMYQZCYOOSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-6-16(14(4,5)12(18)19)13(20)15-17-10(2)8-7-9-11(17)3/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid?
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid has a molecular weight of 285.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 83019830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).