2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid

C13H23N3O4 — CID 62627270

IUPAC2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H23N3O4/c1-9(12(18)19)15(4)11(17)10-5-7-16(8-6-10)13(20)14(2)3/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyKJEARDGIANBCHH-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.31
Rot. Bonds3

About 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid

2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid (PubChem CID 62627270) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid
PubChem CID62627270
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H23N3O4/c1-9(12(18)19)15(4)11(17)10-5-7-16(8-6-10)13(20)14(2)3/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyKJEARDGIANBCHH-UHFFFAOYSA-N
XLogP0.31
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid (CID 62627270) is 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid?
The InChIKey is KJEARDGIANBCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(12(18)19)15(4)11(17)10-5-7-16(8-6-10)13(20)14(2)3/h9-10H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid?
2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 62627270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).