1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 63168409

IUPAC1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)C1CCN(C(=O)CC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-17(4-2)13-7-10-18(12-13)14(19)11-16(15(20)21)8-5-6-9-16/h13H,3-12H2,1-2H3,(H,20,21)
InChIKeyIVUWGNKTIBHWCR-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.96
Rot. Bonds6

About 1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 63168409) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID63168409
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)C1CCN(C(=O)CC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-17(4-2)13-7-10-18(12-13)14(19)11-16(15(20)21)8-5-6-9-16/h13H,3-12H2,1-2H3,(H,20,21)
InChIKeyIVUWGNKTIBHWCR-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 63168409) is 1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid is CCN(CC)C1CCN(C(=O)CC2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is IVUWGNKTIBHWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-17(4-2)13-7-10-18(12-13)14(19)11-16(15(20)21)8-5-6-9-16/h13H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63168409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).