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

C11H22N2O2 — CID 114999323

IUPAC2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
SMILESCN1CCC(CNC(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15)12-8-9-4-6-13(3)7-5-9/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyIFJGOKZFSMCHSO-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds4

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

2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid (PubChem CID 114999323) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
PubChem CID114999323
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
SMILESCN1CCC(CNC(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15)12-8-9-4-6-13(3)7-5-9/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyIFJGOKZFSMCHSO-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid
CID 114999324
2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid
CID 110837588
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid
CID 82892104
2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 110837238
2-amino-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119866874
ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 115128909
3-methyl-3-[(1-methylpiperidin-4-yl)methylcarbamoylamino]butanoic acid
CID 64701673
tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate
CID 107237353
N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605397
tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate
CID 103097056
4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 115157046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid (CID 114999323) is 2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid is CN1CCC(CNC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
The InChIKey is IFJGOKZFSMCHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,10(14)15)12-8-9-4-6-13(3)7-5-9/h9,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid is sourced from PubChem (CID 114999323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).