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

C12H24N2O2 — CID 115128042

IUPAC2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
SMILESCN1CCC(CN(C)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,11(15)16)14(4)9-10-5-7-13(3)8-6-10/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyJKOXVUOSHDXJJL-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.12
Rot. Bonds4

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

2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid (PubChem CID 115128042) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
PubChem CID115128042
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
SMILESCN1CCC(CN(C)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,11(15)16)14(4)9-10-5-7-13(3)8-6-10/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyJKOXVUOSHDXJJL-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

Analyze 2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid with MolForge

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Related Compounds

2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 65300009
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 63236743
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63236517
2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236573
2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
CID 55174419
2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
CID 55171826
3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 64701683
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 76988468
2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid
CID 114987688
2-(ethylamino)-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234481

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid (CID 115128042) is 2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid is CN1CCC(CN(C)C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid?
The InChIKey is JKOXVUOSHDXJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,11(15)16)14(4)9-10-5-7-13(3)8-6-10/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid?
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic 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-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 115128042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).