3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid

C13H25N3O3 — CID 83019828

IUPAC3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-9(12(17)18)8-15(4)13(19)14-16-10(2)6-5-7-11(16)3/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyBXLVSEMWCYTFOF-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.53
Rot. Bonds4

About 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid

3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 83019828) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID83019828
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)NN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-9(12(17)18)8-15(4)13(19)14-16-10(2)6-5-7-11(16)3/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyBXLVSEMWCYTFOF-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[[(2,6-Dimethylpiperidin-1-yl)carbamoylamino]methyl]-4-methylpentanoic acid
CID 83018129
3-[Ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid
CID 83019486
2-[[(2,6-Dimethylpiperidin-1-yl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 83019501
2-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 83019502
2-[Cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
CID 83019509
2-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid
CID 83019593
2,2-Dimethyl-3-(piperidin-1-ylcarbamoylamino)propanoic acid
CID 83019657
2-[[(2,6-Dimethylpiperidin-1-yl)carbamoylamino]methyl]pentanoic acid
CID 83019666
3-[(2,6-Dimethylpiperidin-1-yl)carbamoylamino]-3-methylbutanoic acid
CID 83019670
2-Methyl-3-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid
CID 83019680

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 83019828) is 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)NN1C(C)CCCC1C)C(=O)O.
What is the InChIKey of 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is BXLVSEMWCYTFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(12(17)18)8-15(4)13(19)14-16-10(2)6-5-7-11(16)3/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 83019828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).