1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid

C11H20N2O3 — CID 62639907

IUPAC1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCCN(C)CCN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C11H20N2O3/c1-3-12(2)6-7-13-8-9(11(15)16)4-5-10(13)14/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyYQKBOULYDSWRNI-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.26
Rot. Bonds5

About 1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid

1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 62639907) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID62639907
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCCN(C)CCN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C11H20N2O3/c1-3-12(2)6-7-13-8-9(11(15)16)4-5-10(13)14/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyYQKBOULYDSWRNI-UHFFFAOYSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid
CID 62301232
1-[2-[cyclopropyl(ethyl)amino]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 107574117
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211
1-methyl-6-oxopiperidine-3-carboxylic acid
CID 25247731
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
1-(2-ethylhexyl)-6-oxopiperidine-3-carboxylic acid
CID 62216405
1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302897
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid (CID 62639907) is 1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid is CCN(C)CCN1CC(C(=O)O)CCC1=O.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is YQKBOULYDSWRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-12(2)6-7-13-8-9(11(15)16)4-5-10(13)14/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid?
1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62639907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).