1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid

C12H15NO3 — CID 3107575

IUPAC1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1ccccc1
InChIInChI=1S/C12H15NO3/c14-10-6-11(12(15)16)13(8-10)7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,15,16)
InChIKeyOLILHOGNIHPBCP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.71
Rot. Bonds3

About 1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid

1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 3107575) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID3107575
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1ccccc1
InChIInChI=1S/C12H15NO3/c14-10-6-11(12(15)16)13(8-10)7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,15,16)
InChIKeyOLILHOGNIHPBCP-UHFFFAOYSA-N
XLogP0.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 3107575) is 1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is OLILHOGNIHPBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-10-6-11(12(15)16)13(8-10)7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,15,16).
What are the key properties of 1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid?
1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3107575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).