1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 119355055

IUPAC1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid
SMILESCCN(CC)C(=O)CCCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-15(4-2)12(17)6-5-7-13(18)16-9-8-11(10-16)14(19)20/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyWKRDFTZOHGLGSR-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.96
Rot. Bonds7

About 1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid

1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119355055) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119355055
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid
SMILESCCN(CC)C(=O)CCCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-15(4-2)12(17)6-5-7-13(18)16-9-8-11(10-16)14(19)20/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyWKRDFTZOHGLGSR-UHFFFAOYSA-N
XLogP0.96
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(diethylamino)-4-oxobutyl]pyrrolidine-3-carboxylic acid
CID 63031858
5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 119484079
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
(3S)-1-[5-(4-methylphenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124696647
1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N,N-diethyl-5-oxopentanamide
CID 120659532
5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide
CID 56520872
(3R)-1-[5-(4-bromophenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124700041
1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 63031976
1-[4-oxo-4-(propylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119355311

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid (CID 119355055) is 1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid is CCN(CC)C(=O)CCCC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WKRDFTZOHGLGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-15(4-2)12(17)6-5-7-13(18)16-9-8-11(10-16)14(19)20/h11H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid?
1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119355055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).