2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid

C12H24N2O2 — CID 114988645

IUPAC2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid
SMILESCCC(C)(C(=O)O)N1CCCC(CNC)C1
InChIInChI=1S/C12H24N2O2/c1-4-12(2,11(15)16)14-7-5-6-10(9-14)8-13-3/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyKHZNQFPTITWOOW-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds5

About 2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid

2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid (PubChem CID 114988645) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid
PubChem CID114988645
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid
SMILESCCC(C)(C(=O)O)N1CCCC(CNC)C1
InChIInChI=1S/C12H24N2O2/c1-4-12(2,11(15)16)14-7-5-6-10(9-14)8-13-3/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyKHZNQFPTITWOOW-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 62679191
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
2-methyl-2-(3-propylazetidin-1-yl)butanoic acid
CID 79801474
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496386
methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate
CID 51698816
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
3,3-dimethyl-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408608
1-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 61408512
2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid
CID 79801551
2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid
CID 114999324
3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563
(2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide
CID 30031387

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid (CID 114988645) is 2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid is CCC(C)(C(=O)O)N1CCCC(CNC)C1.
What is the InChIKey of 2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid?
The InChIKey is KHZNQFPTITWOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(2,11(15)16)14-7-5-6-10(9-14)8-13-3/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid?
2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 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-(methylaminomethyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 114988645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).