2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid

C11H21N3O3 — CID 83019899

IUPAC2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid
SMILESCCC(C)(NC(=O)NN1CCCCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-3-11(2,9(15)16)12-10(17)13-14-7-5-4-6-8-14/h3-8H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyUIIAHFDBYNSOHL-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.94
Rot. Bonds4

About 2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid

2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid (PubChem CID 83019899) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid
PubChem CID83019899
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid
SMILESCCC(C)(NC(=O)NN1CCCCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-3-11(2,9(15)16)12-10(17)13-14-7-5-4-6-8-14/h3-8H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyUIIAHFDBYNSOHL-UHFFFAOYSA-N
XLogP0.94
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
CID 79800845
2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79801349
2-methyl-2-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 79801930
2-[(2-ethylazepane-1-carbonyl)amino]-2-methylbutanoic acid
CID 113441850
2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119199669
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
1,3-dipyrrolidin-1-ylurea
CID 140976479
2-methyl-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114137834
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 79801007

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid (CID 83019899) is 2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid is CCC(C)(NC(=O)NN1CCCCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
The InChIKey is UIIAHFDBYNSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-11(2,9(15)16)12-10(17)13-14-7-5-4-6-8-14/h3-8H2,1-2H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 83019899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).