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

C13H24N2O3 — CID 114429674

IUPAC4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
SMILESCCCNCC(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-14-9-12(16)15-7-5-10(4-2)8-11(15)13(17)18/h10-11,14H,3-9H2,1-2H3,(H,17,18)
InChIKeyUMYHFDKYEGKETJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

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

4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid (PubChem CID 114429674) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
PubChem CID114429674
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
SMILESCCCNCC(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-14-9-12(16)15-7-5-10(4-2)8-11(15)13(17)18/h10-11,14H,3-9H2,1-2H3,(H,17,18)
InChIKeyUMYHFDKYEGKETJ-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
CID 115867389
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 114427347
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207
1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid
CID 114426976
4-ethyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 114427038
4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid
CID 114429627
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
4-ethyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
4-ethyl-1-(2-morpholin-3-ylacetyl)piperidine-2-carboxylic acid
CID 114429784
4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid
CID 114429640
4-ethyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114430229

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid (CID 114429674) is 4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid is CCCNCC(=O)N1CCC(CC)CC1C(=O)O.
What is the InChIKey of 4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid?
The InChIKey is UMYHFDKYEGKETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-6-14-9-12(16)15-7-5-10(4-2)8-11(15)13(17)18/h10-11,14H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid?
4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114429674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).