propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate

C15H30N2O2 — CID 176601544

IUPACpropan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate
SMILESCCN(CCC1CCC(C(=O)OC(C)C)N1)C(C)C
InChIInChI=1S/C15H30N2O2/c1-6-17(11(2)3)10-9-13-7-8-14(16-13)15(18)19-12(4)5/h11-14,16H,6-10H2,1-5H3
InChIKeyNMFALIMOVQUTGL-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds7

About propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate

propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate (PubChem CID 176601544) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate
PubChem CID176601544
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namepropan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate
SMILESCCN(CCC1CCC(C(=O)OC(C)C)N1)C(C)C
InChIInChI=1S/C15H30N2O2/c1-6-17(11(2)3)10-9-13-7-8-14(16-13)15(18)19-12(4)5/h11-14,16H,6-10H2,1-5H3
InChIKeyNMFALIMOVQUTGL-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate (CID 176601544) is propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate is CCN(CCC1CCC(C(=O)OC(C)C)N1)C(C)C.
What is the InChIKey of propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate?
The InChIKey is NMFALIMOVQUTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-17(11(2)3)10-9-13-7-8-14(16-13)15(18)19-12(4)5/h11-14,16H,6-10H2,1-5H3.
What are the key properties of propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate?
propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 176601544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).