benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate

C19H19NO5 — CID 44589963

IUPACbenzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C19H19NO5/c21-14-8-9-15(17(22)11-14)18(23)20-10-4-7-16(20)19(24)25-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,21-22H,4,7,10,12H2/t16-/m1/s1
InChIKeyQJZLMURCNOJOAL-MRXNPFEDSA-N
MW341.36 g/mol
LogP2.45
Rot. Bonds4

About benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate

benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate (PubChem CID 44589963) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate
PubChem CID44589963
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namebenzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C19H19NO5/c21-14-8-9-15(17(22)11-14)18(23)20-10-4-7-16(20)19(24)25-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,21-22H,4,7,10,12H2/t16-/m1/s1
InChIKeyQJZLMURCNOJOAL-MRXNPFEDSA-N
XLogP2.45
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate (CID 44589963) is benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate is O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(O)cc1O.
What is the InChIKey of benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is QJZLMURCNOJOAL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19NO5/c21-14-8-9-15(17(22)11-14)18(23)20-10-4-7-16(20)19(24)25-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,21-22H,4,7,10,12H2/t16-/m1/s1.
What are the key properties of benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate?
benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 341.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-1-(2,4-dihydroxybenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 44589963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).