3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid

C13H23N3O4 — CID 60988420

IUPAC3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)CCC(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-14(2)13(20)16-7-4-5-10(9-16)12(19)15(3)8-6-11(17)18/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyUWJNOFNTLWGLMT-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.31
Rot. Bonds4

About 3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid

3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid (PubChem CID 60988420) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
PubChem CID60988420
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)CCC(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-14(2)13(20)16-7-4-5-10(9-16)12(19)15(3)8-6-11(17)18/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyUWJNOFNTLWGLMT-UHFFFAOYSA-N
XLogP0.31
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60778381
3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119233185
3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 119362266
3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 110837310
3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 107202052
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 61233623
3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295
3-N-methoxy-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60767416
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
3-N-(3-hydroxypropyl)-1-N,1-N-dimethyl-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 61039438
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid (CID 60988420) is 3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid is CN(C)C(=O)N1CCCC(C(=O)N(C)CCC(=O)O)C1.
What is the InChIKey of 3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is UWJNOFNTLWGLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-14(2)13(20)16-7-4-5-10(9-16)12(19)15(3)8-6-11(17)18/h10H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 60988420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).