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

C14H27N3O3 — CID 83019666

IUPAC2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-4-6-12(13(18)19)9-15-14(20)16-17-10(2)7-5-8-11(17)3/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyQKHULFCZHOFHFW-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.96
Rot. Bonds6

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

2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid (PubChem CID 83019666) 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]pentanoic acid.

Molecular Properties

Compound Name2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid
PubChem CID83019666
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-4-6-12(13(18)19)9-15-14(20)16-17-10(2)7-5-8-11(17)3/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyQKHULFCZHOFHFW-UHFFFAOYSA-N
XLogP1.96
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.96
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]pentanoic acid?
The IUPAC name of 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid (CID 83019666) is 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)NN1C(C)CCCC1C)C(=O)O.
What is the InChIKey of 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid?
The InChIKey is QKHULFCZHOFHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-6-12(13(18)19)9-15-14(20)16-17-10(2)7-5-8-11(17)3/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid?
2-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.96, 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]pentanoic acid is sourced from PubChem (CID 83019666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).