2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid

C13H24N2O3 — CID 110837588

IUPAC2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid
SMILESCN1CCC(CCC(=O)NC(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,12(17)18)14-11(16)5-4-10-6-8-15(3)9-7-10/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeySJBURKJLLRYKPH-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds5

About 2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid

2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid (PubChem CID 110837588) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid
PubChem CID110837588
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid
SMILESCN1CCC(CCC(=O)NC(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,12(17)18)14-11(16)5-4-10-6-8-15(3)9-7-10/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeySJBURKJLLRYKPH-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 114999323
2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 110837238
(2S)-3-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]butanoic acid
CID 110837593
N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 20719712
2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide
CID 62782083
S-methyl 3-(1-methylpiperidin-4-yl)propanethioate
CID 147245014
N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857468
N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115271090
3-(1-acetylpiperidin-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000587
3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515771
2,2-dimethyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115136698
4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid (CID 110837588) is 2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid is CN1CCC(CCC(=O)NC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid?
The InChIKey is SJBURKJLLRYKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,12(17)18)14-11(16)5-4-10-6-8-15(3)9-7-10/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid?
2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 110837588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).