2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid

C11H21N3O3 — CID 83019657

IUPAC2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid
SMILESCC(C)(CNC(=O)NN1CCCCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-11(2,9(15)16)8-12-10(17)13-14-6-4-3-5-7-14/h3-8H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyFQMVSBBSSMMNKU-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.80
Rot. Bonds4

About 2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid

2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid (PubChem CID 83019657) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid
PubChem CID83019657
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid
SMILESCC(C)(CNC(=O)NN1CCCCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-11(2,9(15)16)8-12-10(17)13-14-6-4-3-5-7-14/h3-8H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyFQMVSBBSSMMNKU-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid (CID 83019657) is 2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid is CC(C)(CNC(=O)NN1CCCCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid?
The InChIKey is FQMVSBBSSMMNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,9(15)16)8-12-10(17)13-14-6-4-3-5-7-14/h3-8H2,1-2H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid?
2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 83019657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).