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

C11H22N2O2 — CID 114999324

IUPAC2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid
SMILESCN1CCCC(CNC(C)(C)C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15)12-7-9-5-4-6-13(3)8-9/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeySOZLSULKWBQPAH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds4

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

2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid (PubChem CID 114999324) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid
PubChem CID114999324
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid
SMILESCN1CCCC(CNC(C)(C)C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15)12-7-9-5-4-6-13(3)8-9/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeySOZLSULKWBQPAH-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-4-yl)methylamino]propanoic acid
CID 114999323
2,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 115428664
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 103515649
2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol
CID 105057805
tert-butyl 3-[(1-methylpiperidin-3-yl)methylamino]propanoate
CID 103244424
4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115157360
1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000516
1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035175
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
3-bromo-4-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 82801301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid (CID 114999324) is 2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid is CN1CCCC(CNC(C)(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid?
The InChIKey is SOZLSULKWBQPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,10(14)15)12-7-9-5-4-6-13(3)8-9/h9,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid?
2-methyl-2-[(1-methylpiperidin-3-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-3-yl)methylamino]propanoic acid is sourced from PubChem (CID 114999324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).