[2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate

C15H28N2O3 — CID 70080553

IUPAC[2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate
SMILESCCCCN(CCCC)C(=O)COC(=O)C1CCNC1
InChIInChI=1S/C15H28N2O3/c1-3-5-9-17(10-6-4-2)14(18)12-20-15(19)13-7-8-16-11-13/h13,16H,3-12H2,1-2H3
InChIKeyPBTCNFMBSSERGF-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.57
Rot. Bonds9

About [2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate

[2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate (PubChem CID 70080553) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is [2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate
PubChem CID70080553
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate
SMILESCCCCN(CCCC)C(=O)COC(=O)C1CCNC1
InChIInChI=1S/C15H28N2O3/c1-3-5-9-17(10-6-4-2)14(18)12-20-15(19)13-7-8-16-11-13/h13,16H,3-12H2,1-2H3
InChIKeyPBTCNFMBSSERGF-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate?
The IUPAC name of [2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate (CID 70080553) is [2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate?
The canonical SMILES for [2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate is CCCCN(CCCC)C(=O)COC(=O)C1CCNC1.
What is the InChIKey of [2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate?
The InChIKey is PBTCNFMBSSERGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-5-9-17(10-6-4-2)14(18)12-20-15(19)13-7-8-16-11-13/h13,16H,3-12H2,1-2H3.
What are the key properties of [2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate?
[2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate is sourced from PubChem (CID 70080553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).