1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid

C12H15NO4 — CID 175324603

IUPAC1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(O)N(Cc2ccccc2)C1O
InChIInChI=1S/C12H15NO4/c14-10-6-9(12(16)17)11(15)13(10)7-8-4-2-1-3-5-8/h1-5,9-11,14-15H,6-7H2,(H,16,17)
InChIKeyDZXGGRWNAYPKNG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.23
Rot. Bonds3

About 1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid

1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid (PubChem CID 175324603) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid
PubChem CID175324603
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(O)N(Cc2ccccc2)C1O
InChIInChI=1S/C12H15NO4/c14-10-6-9(12(16)17)11(15)13(10)7-8-4-2-1-3-5-8/h1-5,9-11,14-15H,6-7H2,(H,16,17)
InChIKeyDZXGGRWNAYPKNG-UHFFFAOYSA-N
XLogP0.23
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid?
The IUPAC name of 1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid (CID 175324603) is 1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid is O=C(O)C1CC(O)N(Cc2ccccc2)C1O.
What is the InChIKey of 1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid?
The InChIKey is DZXGGRWNAYPKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-10-6-9(12(16)17)11(15)13(10)7-8-4-2-1-3-5-8/h1-5,9-11,14-15H,6-7H2,(H,16,17).
What are the key properties of 1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid?
1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid is sourced from PubChem (CID 175324603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).