1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid

C11H19NO4 — CID 107069695

IUPAC1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCOCCC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C11H19NO4/c1-8-4-3-6-12(10(8)11(14)15)9(13)5-7-16-2/h8,10H,3-7H2,1-2H3,(H,14,15)
InChIKeyZWWDFIPGVIYTSV-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds4

About 1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid

1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107069695) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107069695
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCOCCC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C11H19NO4/c1-8-4-3-6-12(10(8)11(14)15)9(13)5-7-16-2/h8,10H,3-7H2,1-2H3,(H,14,15)
InChIKeyZWWDFIPGVIYTSV-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069454
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 107068807
1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068899
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068866
(2R,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 163339159
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
3-methoxy-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 98758074
1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107273461

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid (CID 107069695) is 1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid is COCCC(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is ZWWDFIPGVIYTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-4-3-6-12(10(8)11(14)15)9(13)5-7-16-2/h8,10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid?
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).