benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate

C15H21NO3 — CID 101038867

IUPACbenzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](O)C[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-12(17)10-14-8-5-9-16(14)15(18)19-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,17H,5,8-11H2,1H3/t12-,14-/m1/s1
InChIKeyLOLAQCNCSBSPQQ-TZMCWYRMSA-N
MW263.34 g/mol
LogP2.56
Rot. Bonds4

About benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate

benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate (PubChem CID 101038867) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
PubChem CID101038867
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](O)C[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-12(17)10-14-8-5-9-16(14)15(18)19-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,17H,5,8-11H2,1H3/t12-,14-/m1/s1
InChIKeyLOLAQCNCSBSPQQ-TZMCWYRMSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-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

benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
benzyl (2S)-2-(2-hydroxypropoxymethyl)pyrrolidine-1-carboxylate
CID 177494316
benzyl 2-(3-hydroxypentyl)pyrrolidine-1-carboxylate
CID 10493800
phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
CID 79546809
benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
CID 10956739
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 56933985
benzyl (2S)-2-[[[(2S)-2-aminopropanoyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564868
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl (2S)-2-(1-bromoethyl)pyrrolidine-1-carboxylate
CID 67770305
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate (CID 101038867) is benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate is C[C@@H](O)C[C@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
The InChIKey is LOLAQCNCSBSPQQ-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(17)10-14-8-5-9-16(14)15(18)19-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,17H,5,8-11H2,1H3/t12-,14-/m1/s1.
What are the key properties of benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 101038867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).