tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate

C12H23NO3 — CID 59021640

IUPACtert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESCO[C@H](CC(=O)OC(C)(C)C)[C@@H]1CCCN1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(14)8-10(15-4)9-6-5-7-13-9/h9-10,13H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyHYYIMSSXJHJKOA-VHSXEESVSA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds4

About tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate

tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate (PubChem CID 59021640) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate
PubChem CID59021640
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESCO[C@H](CC(=O)OC(C)(C)C)[C@@H]1CCCN1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(14)8-10(15-4)9-6-5-7-13-9/h9-10,13H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyHYYIMSSXJHJKOA-VHSXEESVSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate?
The IUPAC name of tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate (CID 59021640) is tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate.
What is the SMILES notation for tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate?
The canonical SMILES for tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate is CO[C@H](CC(=O)OC(C)(C)C)[C@@H]1CCCN1.
What is the InChIKey of tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate?
The InChIKey is HYYIMSSXJHJKOA-VHSXEESVSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)16-11(14)8-10(15-4)9-6-5-7-13-9/h9-10,13H,5-8H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate?
tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate has a molecular weight of 229.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate is sourced from PubChem (CID 59021640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).