5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid

C13H24N2O3 — CID 62965394

IUPAC5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
SMILESCCN1CCC(CNC(=O)CC(C)CC(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-15-5-4-11(9-15)8-14-12(16)6-10(2)7-13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWWZFNIUEQJOXFU-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.95
Rot. Bonds7

About 5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid

5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 62965394) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
PubChem CID62965394
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
SMILESCCN1CCC(CNC(=O)CC(C)CC(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-15-5-4-11(9-15)8-14-12(16)6-10(2)7-13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWWZFNIUEQJOXFU-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964488
3-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 55155029
5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62963713
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]pentanedioic acid
CID 61205665
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111537146
3-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 62851851
2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 63613060
(2S)-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 61205851
5-[(1,1-dioxothiolan-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62966304
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide
CID 60856052
3-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266531

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid (CID 62965394) is 5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid is CCN1CCC(CNC(=O)CC(C)CC(=O)O)C1.
What is the InChIKey of 5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is WWZFNIUEQJOXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-15-5-4-11(9-15)8-14-12(16)6-10(2)7-13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid?
5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).