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

C13H26N2O2 — CID 176600983

IUPACpropan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate
SMILESCC(C)NCCC1CCC(C(=O)OC(C)C)N1
InChIInChI=1S/C13H26N2O2/c1-9(2)14-8-7-11-5-6-12(15-11)13(16)17-10(3)4/h9-12,14-15H,5-8H2,1-4H3
InChIKeyPFNBHOOFCVHGMI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.45
Rot. Bonds6

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

propan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate (PubChem CID 176600983) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is propan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate
PubChem CID176600983
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namepropan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate
SMILESCC(C)NCCC1CCC(C(=O)OC(C)C)N1
InChIInChI=1S/C13H26N2O2/c1-9(2)14-8-7-11-5-6-12(15-11)13(16)17-10(3)4/h9-12,14-15H,5-8H2,1-4H3
InChIKeyPFNBHOOFCVHGMI-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate (CID 176600983) is propan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate is CC(C)NCCC1CCC(C(=O)OC(C)C)N1.
What is the InChIKey of propan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is PFNBHOOFCVHGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)14-8-7-11-5-6-12(15-11)13(16)17-10(3)4/h9-12,14-15H,5-8H2,1-4H3.
What are the key properties of propan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate?
propan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 176600983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).