3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid

C10H20N2O2 — CID 106635493

IUPAC3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CC1CCCCN1
InChIInChI=1S/C10H20N2O2/c1-12(7-5-10(13)14)8-9-4-2-3-6-11-9/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyGEGDKIQPXTUDBE-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.54
Rot. Bonds5

About 3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid

3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid (PubChem CID 106635493) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
PubChem CID106635493
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CC1CCCCN1
InChIInChI=1S/C10H20N2O2/c1-12(7-5-10(13)14)8-9-4-2-3-6-11-9/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyGEGDKIQPXTUDBE-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[methyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106613819
4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol
CID 106635214
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide
CID 106635404
3-(azepan-2-yl)propanoic acid
CID 69475849
N-methyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 63207373
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
N-methyl-N-(piperidin-2-ylmethyl)cycloheptanecarboxamide
CID 106627288
1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea
CID 106629811

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid (CID 106635493) is 3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid is CN(CCC(=O)O)CC1CCCCN1.
What is the InChIKey of 3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid?
The InChIKey is GEGDKIQPXTUDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12(7-5-10(13)14)8-9-4-2-3-6-11-9/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid?
3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 106635493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).