4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

C13H15NO5 — CID 44890918

IUPAC4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)OCc2ccccc2)CC1O
InChIInChI=1S/C13H15NO5/c15-11-7-14(6-10(11)12(16)17)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)
InChIKeyIIRYNZYKXMSCSC-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.70
Rot. Bonds3

About 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (PubChem CID 44890918) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
PubChem CID44890918
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)OCc2ccccc2)CC1O
InChIInChI=1S/C13H15NO5/c15-11-7-14(6-10(11)12(16)17)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)
InChIKeyIIRYNZYKXMSCSC-UHFFFAOYSA-N
XLogP0.70
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (CID 44890918) is 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is O=C(O)C1CN(C(=O)OCc2ccccc2)CC1O.
What is the InChIKey of 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The InChIKey is IIRYNZYKXMSCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-11-7-14(6-10(11)12(16)17)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17).
What are the key properties of 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 44890918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).