tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate

C12H23NO3 — CID 102568585

IUPACtert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate
SMILESCCCC1CC(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-5-6-9-7-10(14)8-13(9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyKFYLHJUNGYIXAL-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.16
Rot. Bonds2

About tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate

tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate (PubChem CID 102568585) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate
PubChem CID102568585
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate
SMILESCCCC1CC(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-5-6-9-7-10(14)8-13(9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyKFYLHJUNGYIXAL-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-hydroxy-2-propylpyrrolidine-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 (2R,4S)-2-butyl-4-hydroxypyrrolidine-1-carboxylate
CID 99994221
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
tert-butyl (2S,4S)-2-(bromomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 170900143
tert-butyl (2S,4R)-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 97103095
methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate
CID 162342085
2-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 155819570
tert-butyl (2S,4R)-2-(2-amino-2-oxoethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 69415666
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-propylpyrrolidine-1-carboxylate
CID 11085987
tert-butyl 2-(ethoxymethoxymethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 70227944
tert-butyl (2S,4R)-4-hydroxy-2-(trimethylsilyloxymethyl)pyrrolidine-1-carboxylate
CID 50916738
tert-butyl (2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 14117020
tert-butyl (2R,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 164780275

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate (CID 102568585) is tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate is CCCC1CC(O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate?
The InChIKey is KFYLHJUNGYIXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-6-9-7-10(14)8-13(9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate?
tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate is sourced from PubChem (CID 102568585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).