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

C10H20N2O2 — CID 106635281

IUPAC2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)CC1CCCCN1
InChIInChI=1S/C10H20N2O2/c1-8(10(13)14)12(2)7-9-5-3-4-6-11-9/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyYSIYBPPUOOIIRY-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.53
Rot. Bonds4

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

2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid (PubChem CID 106635281) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
PubChem CID106635281
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)CC1CCCCN1
InChIInChI=1S/C10H20N2O2/c1-8(10(13)14)12(2)7-9-5-3-4-6-11-9/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyYSIYBPPUOOIIRY-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 106631912
2-[methyl(piperidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 106635350
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616231
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635493
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
N-methyl-N-(piperidin-2-ylmethyl)cycloheptanecarboxamide
CID 106627288

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid (CID 106635281) is 2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid is CC(C(=O)O)N(C)CC1CCCCN1.
What is the InChIKey of 2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid?
The InChIKey is YSIYBPPUOOIIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(10(13)14)12(2)7-9-5-3-4-6-11-9/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid?
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 106635281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).