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

C12H22N2O3 — CID 110837525

IUPAC2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CC1CCCN(C)C1
InChIInChI=1S/C12H22N2O3/c1-9(12(16)17)14(3)11(15)7-10-5-4-6-13(2)8-10/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyMKOVQDJVMCUHTG-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.65
Rot. Bonds4

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

2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid (PubChem CID 110837525) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
PubChem CID110837525
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CC1CCCN(C)C1
InChIInChI=1S/C12H22N2O3/c1-9(12(16)17)14(3)11(15)7-10-5-4-6-13(2)8-10/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyMKOVQDJVMCUHTG-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[methyl-[2-(thian-4-yl)acetyl]amino]propanoic acid
CID 83145675
2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid
CID 120520376
N-(4-hydroxycyclohexyl)-N-methyl-2-(1-methylpiperidin-3-yl)acetamide
CID 115277429
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054
2-[(1-methylpiperidin-3-yl)methyl]prop-2-enoic acid
CID 117266962
3-methyl-2-[methyl-(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 110837306
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid
CID 115250032
N-methyl-2-(1-methylpyrrolidin-3-yl)acetohydrazide
CID 116844900
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid (CID 110837525) is 2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)CC1CCCN(C)C1.
What is the InChIKey of 2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid?
The InChIKey is MKOVQDJVMCUHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(12(16)17)14(3)11(15)7-10-5-4-6-13(2)8-10/h9-10H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid?
2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 110837525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).