2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid

C12H23N3O3 — CID 83265684

IUPAC2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-9(11(16)17)14(4)10-5-7-15(8-6-10)12(18)13(2)3/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyNXMUFOYXYANUSF-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.54
Rot. Bonds3

About 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid

2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid (PubChem CID 83265684) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid
PubChem CID83265684
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-9(11(16)17)14(4)10-5-7-15(8-6-10)12(18)13(2)3/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyNXMUFOYXYANUSF-UHFFFAOYSA-N
XLogP0.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 62627270
(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride
CID 69352302
2-[cyclohexyl(methyl)amino]propanoic acid
CID 22906743
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
4-[methyl(propan-2-yl)amino]piperidine-1-carboxylic acid
CID 22047993
2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500513
3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid
CID 83265975
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200
2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid
CID 114820671
4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide
CID 79154300
2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid
CID 138005412

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid?
The IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid (CID 83265684) is 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid?
The InChIKey is NXMUFOYXYANUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(11(16)17)14(4)10-5-7-15(8-6-10)12(18)13(2)3/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid?
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid is sourced from PubChem (CID 83265684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).