tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate

C11H19NO4 — CID 13466617

IUPACtert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
SMILESCC(=O)O[C@@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-8(13)15-9-5-6-12(7-9)10(14)16-11(2,3)4/h9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyIISMTBJUCUOJBU-SECBINFHSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds1

About tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate

tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate (PubChem CID 13466617) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
PubChem CID13466617
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
SMILESCC(=O)O[C@@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-8(13)15-9-5-6-12(7-9)10(14)16-11(2,3)4/h9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyIISMTBJUCUOJBU-SECBINFHSA-N
XLogP1.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 3-acetyloxyazepane-1-carboxylate
CID 162415739
tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
CID 124584355
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylate
CID 77402680
tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
CID 172596059
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
tert-butyl (3S)-3-(iodomethoxy)pyrrolidine-1-carboxylate
CID 143226936
tert-butyl (3S)-3-prop-2-enoyloxypiperidine-1-carboxylate
CID 163505560
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-oxoacetic acid
CID 138967384
tert-butyl (3R)-3-(2-hydroxy-2-methylpropoxy)pyrrolidine-1-carboxylate
CID 70848392

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate (CID 13466617) is tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate is CC(=O)O[C@@H]1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate?
The InChIKey is IISMTBJUCUOJBU-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(13)15-9-5-6-12(7-9)10(14)16-11(2,3)4/h9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate?
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 13466617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).