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

C11H21NO2 — CID 58423392

IUPACtert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate
SMILESCC(C)(C)OC(=O)CC[C@@H]1CCNC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)5-4-9-6-7-12-8-9/h9,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyMMHMDGZTUCMCQU-SECBINFHSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds3

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

tert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate (PubChem CID 58423392) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate
PubChem CID58423392
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate
SMILESCC(C)(C)OC(=O)CC[C@@H]1CCNC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)5-4-9-6-7-12-8-9/h9,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyMMHMDGZTUCMCQU-SECBINFHSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[(3R)-pyrrolidin-3-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 3-[(3R)-pyrrolidin-3-yl]propanoate?
The IUPAC name of tert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate (CID 58423392) is tert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate?
The canonical SMILES for tert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate is CC(C)(C)OC(=O)CC[C@@H]1CCNC1.
What is the InChIKey of tert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate?
The InChIKey is MMHMDGZTUCMCQU-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)5-4-9-6-7-12-8-9/h9,12H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of tert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate?
tert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3R)-pyrrolidin-3-yl]propanoate is sourced from PubChem (CID 58423392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).