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

C11H21N3O3 — CID 83019590

IUPAC2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-7-5-4-6-8(2)14(7)13-11(17)12-9(3)10(15)16/h7-9H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyVYTSCQNTKSOCQR-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.94
Rot. Bonds3

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

2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid (PubChem CID 83019590) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid
PubChem CID83019590
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-7-5-4-6-8(2)14(7)13-11(17)12-9(3)10(15)16/h7-9H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyVYTSCQNTKSOCQR-UHFFFAOYSA-N
XLogP0.94
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid (CID 83019590) is 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid is CC(NC(=O)NN1C(C)CCCC1C)C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid?
The InChIKey is VYTSCQNTKSOCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7-5-4-6-8(2)14(7)13-11(17)12-9(3)10(15)16/h7-9H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid?
2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.94, 3 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]propanoic acid is sourced from PubChem (CID 83019590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).