2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid

C14H27N3O3 — CID 83019501

IUPAC2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-9(2)12(13(18)19)8-15-14(20)16-17-10(3)6-5-7-11(17)4/h9-12H,5-8H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyMYGMEZIUIZIVFW-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.82
Rot. Bonds5

About 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid

2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid (PubChem CID 83019501) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid
PubChem CID83019501
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-9(2)12(13(18)19)8-15-14(20)16-17-10(3)6-5-7-11(17)4/h9-12H,5-8H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyMYGMEZIUIZIVFW-UHFFFAOYSA-N
XLogP1.82
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid (CID 83019501) is 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)NN1C(C)CCCC1C)C(=O)O.
What is the InChIKey of 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid?
The InChIKey is MYGMEZIUIZIVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-9(2)12(13(18)19)8-15-14(20)16-17-10(3)6-5-7-11(17)4/h9-12H,5-8H2,1-4H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid?
2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.82, 5 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]-3-methylbutanoic acid is sourced from PubChem (CID 83019501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).