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

C14H27N3O3 — CID 83019592

IUPAC2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-9-14(4,12(18)19)15-13(20)16-17-10(2)7-6-8-11(17)3/h10-11H,5-9H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyROGZUCCWPGQOHQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.11
Rot. Bonds5

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

2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid (PubChem CID 83019592) 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]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid
PubChem CID83019592
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-9-14(4,12(18)19)15-13(20)16-17-10(2)7-6-8-11(17)3/h10-11H,5-9H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyROGZUCCWPGQOHQ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175190
2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid
CID 63244361
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 83019830
2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid
CID 61223431
2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414489
3-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4,4-dimethylpentanoic acid
CID 83018133
(2S)-2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 83020650
2-methyl-2-(thian-3-ylcarbamoylamino)pentanoic acid
CID 113364259
2-[(1,1-dioxothian-4-yl)carbamoylamino]-2-methylpentanoic acid
CID 61201471

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid (CID 83019592) is 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)NN1C(C)CCCC1C)C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid?
The InChIKey is ROGZUCCWPGQOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-9-14(4,12(18)19)15-13(20)16-17-10(2)7-6-8-11(17)3/h10-11H,5-9H2,1-4H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid?
2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-2-methylpentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 2.11, 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]-2-methylpentanoic acid is sourced from PubChem (CID 83019592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).