(1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate

C11H20N2O2 — CID 58029632

IUPAC(1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate
SMILESCC(C)N1CC(OC(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C11H20N2O2/c1-8(2)13-6-9(7-13)15-11(14)10-4-3-5-12-10/h8-10,12H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyGXIBWWDZJYANEZ-JTQLQIEISA-N
MW212.29 g/mol
LogP0.37
Rot. Bonds3

About (1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate

(1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate (PubChem CID 58029632) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate
PubChem CID58029632
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate
SMILESCC(C)N1CC(OC(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C11H20N2O2/c1-8(2)13-6-9(7-13)15-11(14)10-4-3-5-12-10/h8-10,12H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyGXIBWWDZJYANEZ-JTQLQIEISA-N
XLogP0.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of (1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate (CID 58029632) is (1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for (1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for (1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate is CC(C)N1CC(OC(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of (1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate?
The InChIKey is GXIBWWDZJYANEZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)13-6-9(7-13)15-11(14)10-4-3-5-12-10/h8-10,12H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of (1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate?
(1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 58029632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).