2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid

C13H24N2O3 — CID 64582932

IUPAC2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid
SMILESCCC1(C)CCN(CC(NC(C)=O)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-4-13(3)5-7-15(8-6-13)9-11(12(17)18)14-10(2)16/h11H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyCLVKNBMXUHGLKZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds5

About 2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid

2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid (PubChem CID 64582932) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid
PubChem CID64582932
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid
SMILESCCC1(C)CCN(CC(NC(C)=O)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-4-13(3)5-7-15(8-6-13)9-11(12(17)18)14-10(2)16/h11H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyCLVKNBMXUHGLKZ-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetamido-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 65536678
2-Acetamido-3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 65536688
2-[(1-Methylpiperidine-4-carbonyl)amino]propanoic acid
CID 18734979
1-Methyl-4-[2-(methylamino)acetyl]piperazine-2-carboxylic acid
CID 21341642
2-(Piperidine-4-carbonylamino)propanoic acid
CID 21892268
2-Acetamido-3-(4-methylpiperazin-1-yl)propanoic acid
CID 22293919
(2S)-3-methyl-2-[(2-piperidin-1-ylacetyl)amino]butanoic acid
CID 39259498
2,3-Ditert-butylpiperazine-1,2-dicarboxylic acid
CID 53421736
5-Butyl-6-oxopiperazine-2-carboxylic acid
CID 57611831
5-(2-Methylpropyl)-6-oxopiperazine-2-carboxylic acid
CID 59008337
5-(1-Methylethyl)-6-oxo-2-piperazinecarboxylic acid
CID 59008370
5-Butan-2-yl-6-oxopiperazine-2-carboxylic acid
CID 59008373

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid (CID 64582932) is 2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid is CCC1(C)CCN(CC(NC(C)=O)C(=O)O)CC1.
What is the InChIKey of 2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid?
The InChIKey is CLVKNBMXUHGLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-13(3)5-7-15(8-6-13)9-11(12(17)18)14-10(2)16/h11H,4-9H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid?
2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-ethyl-4-methylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 64582932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).