4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid

C12H22N2O3 — CID 115867389

IUPAC4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
SMILESCCCNCC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-5-13-8-11(15)14-6-4-9(2)7-10(14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyXZCSGSQAQDKIMI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds5

About 4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid

4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid (PubChem CID 115867389) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
PubChem CID115867389
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
SMILESCCCNCC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-5-13-8-11(15)14-6-4-9(2)7-10(14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyXZCSGSQAQDKIMI-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
CID 114429674
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid
CID 114421923
1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421123
4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid
CID 115867385
1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421662
4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
CID 114807133
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 103871148
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid (CID 115867389) is 4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid is CCCNCC(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid?
The InChIKey is XZCSGSQAQDKIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-5-13-8-11(15)14-6-4-9(2)7-10(14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid?
4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 115867389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).