2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid

C12H22N2O3 — CID 55155372

IUPAC2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C12H22N2O3/c1-9(10(15)16)13(4)11(17)14-7-5-12(2,3)6-8-14/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyNLKHTGBJQQUZSL-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.63
Rot. Bonds2

About 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid

2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid (PubChem CID 55155372) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
PubChem CID55155372
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C12H22N2O3/c1-9(10(15)16)13(4)11(17)14-7-5-12(2,3)6-8-14/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyNLKHTGBJQQUZSL-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500513
2-[methyl(piperazine-1-carbonyl)amino]propanoic acid
CID 62639572
2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 62639034
2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 62637046
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
CID 62932565
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid
CID 112626729
3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55155373
2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid
CID 120520376
2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 62627270
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 58959831
2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 64694737

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid (CID 55155372) is 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)N1CCC(C)(C)CC1.
What is the InChIKey of 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid?
The InChIKey is NLKHTGBJQQUZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(10(15)16)13(4)11(17)14-7-5-12(2,3)6-8-14/h9H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid?
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 55155372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).