2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid

C12H24N2O2 — CID 79406516

IUPAC2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
SMILESCC(C(=O)O)C(C)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(12(15)16)10(2)14(4)11-5-7-13(3)8-6-11/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeySCEHGBKRPJKPMN-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.12
Rot. Bonds4

About 2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid

2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid (PubChem CID 79406516) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
PubChem CID79406516
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
SMILESCC(C(=O)O)C(C)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(12(15)16)10(2)14(4)11-5-7-13(3)8-6-11/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeySCEHGBKRPJKPMN-UHFFFAOYSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-(4-methylcyclohexyl)amino]butanoic acid
CID 79408133
2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103495844
2-methyl-3-[methyl-(3-methylcyclohexyl)amino]butanoic acid
CID 79407617
2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682804
3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid
CID 116938112
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid
CID 83265684
2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
CID 64725416
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114897698
4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid
CID 110838532
3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61189781
4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 64718593
2-[methyl-(1-methylpiperidin-4-yl)amino]-2-(1H-pyrrol-2-yl)acetic acid
CID 84748769

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid (CID 79406516) is 2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid is CC(C(=O)O)C(C)N(C)C1CCN(C)CC1.
What is the InChIKey of 2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
The InChIKey is SCEHGBKRPJKPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(12(15)16)10(2)14(4)11-5-7-13(3)8-6-11/h9-11H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 79406516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).