1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid

C15H24N2O4 — CID 83059785

IUPAC1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C15H24N2O4/c1-3-15(14(20)21)7-4-8-17(15)13(19)12-5-9-16(10-6-12)11(2)18/h12H,3-10H2,1-2H3,(H,20,21)
InChIKeyQJBMOURWRVPVCN-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.10
Rot. Bonds3

About 1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid

1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83059785) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83059785
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C15H24N2O4/c1-3-15(14(20)21)7-4-8-17(15)13(19)12-5-9-16(10-6-12)11(2)18/h12H,3-10H2,1-2H3,(H,20,21)
InChIKeyQJBMOURWRVPVCN-UHFFFAOYSA-N
XLogP1.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(4-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 83075872
2-ethyl-1-(oxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83075884
2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83191714
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076202
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070767
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977101
1-(3-cyclopentylpropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075961
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879
2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 83070533

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid (CID 83059785) is 1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is QJBMOURWRVPVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-15(14(20)21)7-4-8-17(15)13(19)12-5-9-16(10-6-12)11(2)18/h12H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83059785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).