2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid

C13H25N3O3 — CID 83019593

IUPAC2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C13H25N3O3/c1-5-11(12(17)18)15(4)13(19)14-16-9(2)7-6-8-10(16)3/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeySJXHEICNESSQIX-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.67
Rot. Bonds4

About 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid

2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid (PubChem CID 83019593) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid
PubChem CID83019593
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C13H25N3O3/c1-5-11(12(17)18)15(4)13(19)14-16-9(2)7-6-8-10(16)3/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeySJXHEICNESSQIX-UHFFFAOYSA-N
XLogP1.67
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 83018780
2-[(2-Ethylpiperidine-1-carbonyl)-methylamino]butanoic acid
CID 61817148
2-[(2,6-Dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
CID 61819356
4-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 83017156
3-[Tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid
CID 83017632
2-[Cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
CID 83018482
2-[4-[(2,6-Dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 83018483
1-[(2,6-Dimethylpiperidin-1-yl)carbamoyl]azepane-2-carboxylic acid
CID 83018778
1-(Dimethylaminocarbamoyl)piperidine-2-carboxylic acid
CID 83018966
(2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83019487
2-[Ethyl(piperidin-1-ylcarbamoyl)amino]acetic acid
CID 83019494
3,3-Dimethyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid
CID 83019497

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid (CID 83019593) is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)NN1C(C)CCCC1C.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid?
The InChIKey is SJXHEICNESSQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-5-11(12(17)18)15(4)13(19)14-16-9(2)7-6-8-10(16)3/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid?
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 83019593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).