4-benzhydryloxypyrrolidine-2-carboxylic acid

C18H19NO3 — CID 22614373

IUPAC4-benzhydryloxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(OC(c2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C18H19NO3/c20-18(21)16-11-15(12-19-16)22-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,19H,11-12H2,(H,20,21)
InChIKeyYMKBNZTXMTYTLN-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.61
Rot. Bonds5

About 4-benzhydryloxypyrrolidine-2-carboxylic acid

4-benzhydryloxypyrrolidine-2-carboxylic acid (PubChem CID 22614373) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-benzhydryloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-benzhydryloxypyrrolidine-2-carboxylic acid
PubChem CID22614373
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-benzhydryloxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(OC(c2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C18H19NO3/c20-18(21)16-11-15(12-19-16)22-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,19H,11-12H2,(H,20,21)
InChIKeyYMKBNZTXMTYTLN-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryloxypyrrolidine-2-carboxylic acid?
The IUPAC name of 4-benzhydryloxypyrrolidine-2-carboxylic acid (CID 22614373) is 4-benzhydryloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-benzhydryloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-benzhydryloxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(OC(c2ccccc2)c2ccccc2)CN1.
What is the InChIKey of 4-benzhydryloxypyrrolidine-2-carboxylic acid?
The InChIKey is YMKBNZTXMTYTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18(21)16-11-15(12-19-16)22-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,19H,11-12H2,(H,20,21).
What are the key properties of 4-benzhydryloxypyrrolidine-2-carboxylic acid?
4-benzhydryloxypyrrolidine-2-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22614373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).