1-phenoxycarbonylpyrrolidine-2-carboxylic acid

C12H13NO4 — CID 564997

IUPAC1-phenoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H13NO4/c14-11(15)10-7-4-8-13(10)12(16)17-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,14,15)
InChIKeyOUPMLYISWFZSNV-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.73
Rot. Bonds2

About 1-phenoxycarbonylpyrrolidine-2-carboxylic acid

1-phenoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 564997) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-phenoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-phenoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID564997
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name1-phenoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H13NO4/c14-11(15)10-7-4-8-13(10)12(16)17-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,14,15)
InChIKeyOUPMLYISWFZSNV-UHFFFAOYSA-N
XLogP1.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-phenoxycarbonylpyrrolidine-2-carboxylic acid (CID 564997) is 1-phenoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-phenoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-phenoxycarbonylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Oc1ccccc1.
What is the InChIKey of 1-phenoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is OUPMLYISWFZSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11(15)10-7-4-8-13(10)12(16)17-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,14,15).
What are the key properties of 1-phenoxycarbonylpyrrolidine-2-carboxylic acid?
1-phenoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 564997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).