benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate

C19H19NO5 — CID 147137446

IUPACbenzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(ON1C[C@H](O)C[C@H]1C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO5/c21-16-11-17(19(23)24-13-14-7-3-1-4-8-14)20(12-16)25-18(22)15-9-5-2-6-10-15/h1-10,16-17,21H,11-13H2/t16-,17+/m1/s1
InChIKeyBRLDCICHJJVMIH-SJORKVTESA-N
MW341.36 g/mol
LogP1.94
Rot. Bonds5

About benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate

benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 147137446) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate
PubChem CID147137446
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namebenzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(ON1C[C@H](O)C[C@H]1C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO5/c21-16-11-17(19(23)24-13-14-7-3-1-4-8-14)20(12-16)25-18(22)15-9-5-2-6-10-15/h1-10,16-17,21H,11-13H2/t16-,17+/m1/s1
InChIKeyBRLDCICHJJVMIH-SJORKVTESA-N
XLogP1.94
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate (CID 147137446) is benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate is O=C(ON1C[C@H](O)C[C@H]1C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is BRLDCICHJJVMIH-SJORKVTESA-N. The full InChI is InChI=1S/C19H19NO5/c21-16-11-17(19(23)24-13-14-7-3-1-4-8-14)20(12-16)25-18(22)15-9-5-2-6-10-15/h1-10,16-17,21H,11-13H2/t16-,17+/m1/s1.
What are the key properties of benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate?
benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 341.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,4R)-1-benzoyloxy-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 147137446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).