6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid

C13H24N2O3 — CID 63207758

IUPAC6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid
SMILESCN(CCN1CCCC1)C(=O)CCCCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-14(10-11-15-8-4-5-9-15)12(16)6-2-3-7-13(17)18/h2-11H2,1H3,(H,17,18)
InChIKeyVRQHYSBBMWUEBG-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.19
Rot. Bonds8

About 6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid

6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid (PubChem CID 63207758) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid
PubChem CID63207758
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid
SMILESCN(CCN1CCCC1)C(=O)CCCCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-14(10-11-15-8-4-5-9-15)12(16)6-2-3-7-13(17)18/h2-11H2,1H3,(H,17,18)
InChIKeyVRQHYSBBMWUEBG-UHFFFAOYSA-N
XLogP1.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 63207884
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
5-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)hexanamide
CID 82851299
N-methyl-N-[6-[methyl(3-piperidin-1-ylpropanoyl)amino]hexyl]-3-piperidin-1-ylpropanamide
CID 10477358
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butanamide
CID 110753417
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide
CID 90191014
2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 78926215
5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid
CID 60950966
1-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63207757

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid (CID 63207758) is 6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid is CN(CCN1CCCC1)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid?
The InChIKey is VRQHYSBBMWUEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-14(10-11-15-8-4-5-9-15)12(16)6-2-3-7-13(17)18/h2-11H2,1H3,(H,17,18).
What are the key properties of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid?
6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 63207758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).