dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate

C20H21NO5 — CID 57008512

IUPACdibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO5/c22-17-11-18(19(23)25-13-15-7-3-1-4-8-15)21(12-17)20(24)26-14-16-9-5-2-6-10-16/h1-10,17-18,22H,11-14H2/t17?,18-/m0/s1
InChIKeyXHKMBFDLCAZWCR-ZVAWYAOSSA-N
MW355.39 g/mol
LogP2.50
Rot. Bonds5

About dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate

dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate (PubChem CID 57008512) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
PubChem CID57008512
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namedibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO5/c22-17-11-18(19(23)25-13-15-7-3-1-4-8-15)21(12-17)20(24)26-14-16-9-5-2-6-10-16/h1-10,17-18,22H,11-14H2/t17?,18-/m0/s1
InChIKeyXHKMBFDLCAZWCR-ZVAWYAOSSA-N
XLogP2.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate 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 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
benzyl 2-carboniodidoyl-4-hydroxypyrrolidine-1-carboxylate
CID 129035263
cyclohexanamine;4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 126475877
benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 4857905
1-O-benzyl 2-O-ethyl (2S,5S)-5-hydroxypiperidine-1,2-dicarboxylate
CID 118193062
1-O-benzyl 2-O-ethyl (2R,5R)-5-hydroxypiperidine-1,2-dicarboxylate
CID 118193064
benzyl (2S,4S)-2-formyl-4-hydroxypyrrolidine-1-carboxylate
CID 54234603
benzyl 2-(cycloheptylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 563091
1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate
CID 14081061
1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
CID 18391513
2-(5-methoxycarbonyl-1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid
CID 118995022
2-O-methyl 1-O-[(4-nitrophenyl)methyl] (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 57024778

Frequently Asked Questions

What is the IUPAC name of dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate (CID 57008512) is dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate is O=C(OCc1ccccc1)[C@@H]1CC(O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The InChIKey is XHKMBFDLCAZWCR-ZVAWYAOSSA-N. The full InChI is InChI=1S/C20H21NO5/c22-17-11-18(19(23)25-13-15-7-3-1-4-8-15)21(12-17)20(24)26-14-16-9-5-2-6-10-16/h1-10,17-18,22H,11-14H2/t17?,18-/m0/s1.
What are the key properties of dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate?
dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate has a molecular weight of 355.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 57008512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).