1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate

C10H19NO3 — CID 103489156

IUPAC1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
SMILESCCOCC(C)OC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H19NO3/c1-3-13-7-8(2)14-10(12)9-5-4-6-11-9/h8-9,11H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyOZBUESIVGPGRAE-GKAPJAKFSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds5

About 1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate

1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate (PubChem CID 103489156) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
PubChem CID103489156
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
SMILESCCOCC(C)OC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H19NO3/c1-3-13-7-8(2)14-10(12)9-5-4-6-11-9/h8-9,11H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyOZBUESIVGPGRAE-GKAPJAKFSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate (CID 103489156) is 1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate is CCOCC(C)OC(=O)[C@@H]1CCCN1.
What is the InChIKey of 1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate?
The InChIKey is OZBUESIVGPGRAE-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-13-7-8(2)14-10(12)9-5-4-6-11-9/h8-9,11H,3-7H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of 1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate?
1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 103489156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).