4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid

C13H21NO3 — CID 70876742

IUPAC4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid
SMILESCC1CC(C2CCN(C(=O)CCC(=O)O)C2)C1
InChIInChI=1S/C13H21NO3/c1-9-6-11(7-9)10-4-5-14(8-10)12(15)2-3-13(16)17/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyHMONKYAGUSDLBC-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.75
Rot. Bonds4

About 4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid

4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid (PubChem CID 70876742) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid
PubChem CID70876742
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid
SMILESCC1CC(C2CCN(C(=O)CCC(=O)O)C2)C1
InChIInChI=1S/C13H21NO3/c1-9-6-11(7-9)10-4-5-14(8-10)12(15)2-3-13(16)17/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyHMONKYAGUSDLBC-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 3031549
1-Octyl-5-oxopyrrolidine-3-carboxylic acid
CID 94089
1-Decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
(3S)a1aHexyla5aoxopyrrolidinea3acarboxylic acid
CID 7144533
3-Fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 154751889
1-Heptyl-5-oxopyrrolidine-3-carboxylic acid
CID 4778004
1-Cyclohexylmethyl-5-oxo-pyrrolidine-3-carboxylic acid
CID 11310675
1-(2-Ethylhexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 53215499
1,4-Dibutyl-5-oxopyrrolidine-3-carboxylic acid
CID 54761688
5-Oxo-1-(3,5,5-trimethylhexyl)pyrrolidine-3-carboxylic acid
CID 54761689
4-Ethyl-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 57880910
5-Oxo-4-propan-2-yl-1-propylpyrrolidine-3-carboxylic acid
CID 57880929

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid (CID 70876742) is 4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid is CC1CC(C2CCN(C(=O)CCC(=O)O)C2)C1.
What is the InChIKey of 4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The InChIKey is HMONKYAGUSDLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-6-11(7-9)10-4-5-14(8-10)12(15)2-3-13(16)17/h9-11H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid has a molecular weight of 239.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylcyclobutyl)pyrrolidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 70876742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).