propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate

C14H27NO3 — CID 22217428

IUPACpropan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CC(OC(C)C)CN1C(C)C
InChIInChI=1S/C14H27NO3/c1-9(2)15-8-12(17-10(3)4)7-13(15)14(16)18-11(5)6/h9-13H,7-8H2,1-6H3/t12?,13-/m0/s1
InChIKeyUDZWYSRYMUSEHV-ABLWVSNPSA-N
MW257.37 g/mol
LogP2.21
Rot. Bonds5

About propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate

propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate (PubChem CID 22217428) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate
PubChem CID22217428
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namepropan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CC(OC(C)C)CN1C(C)C
InChIInChI=1S/C14H27NO3/c1-9(2)15-8-12(17-10(3)4)7-13(15)14(16)18-11(5)6/h9-13H,7-8H2,1-6H3/t12?,13-/m0/s1
InChIKeyUDZWYSRYMUSEHV-ABLWVSNPSA-N
XLogP2.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate (CID 22217428) is propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate is CC(C)OC(=O)[C@@H]1CC(OC(C)C)CN1C(C)C.
What is the InChIKey of propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate?
The InChIKey is UDZWYSRYMUSEHV-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H27NO3/c1-9(2)15-8-12(17-10(3)4)7-13(15)14(16)18-11(5)6/h9-13H,7-8H2,1-6H3/t12?,13-/m0/s1.
What are the key properties of propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate?
propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-1-propan-2-yl-4-propan-2-yloxypyrrolidine-2-carboxylate is sourced from PubChem (CID 22217428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).