phenyl (2S)-pyrrolidine-2-carboxylate

C11H13NO2 — CID 15598567

IUPACphenyl (2S)-pyrrolidine-2-carboxylate
SMILESO=C(Oc1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C11H13NO2/c13-11(10-7-4-8-12-10)14-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2/t10-/m0/s1
InChIKeyQBVBNTIODVFFCG-JTQLQIEISA-N
MW191.23 g/mol
LogP1.34
Rot. Bonds2

About phenyl (2S)-pyrrolidine-2-carboxylate

phenyl (2S)-pyrrolidine-2-carboxylate (PubChem CID 15598567) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is phenyl (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namephenyl (2S)-pyrrolidine-2-carboxylate
PubChem CID15598567
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namephenyl (2S)-pyrrolidine-2-carboxylate
SMILESO=C(Oc1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C11H13NO2/c13-11(10-7-4-8-12-10)14-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2/t10-/m0/s1
InChIKeyQBVBNTIODVFFCG-JTQLQIEISA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

Pidobenzone
CID 3047843
(2S,4S)-4-(3-fluoro-phenoxymethyl)-pyrrolidine-2-carboxylic acid
CID 10376960
(2S,4S)-4-phenoxypyrrolidine-2-carboxylic Acid
CID 11160066
(2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid
CID 54587697
(2S)-2-(phenoxymethyl)pyrrolidine
CID 9855629
(R)-2-(phenoxymethyl)pyrrolidine
CID 44312988
(2S,4S)-4-[4-(trifluoromethoxy)phenoxy]pyrrolidine-2-carboxylic acid
CID 54584746
(4-chlorophenyl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 141730085
phenyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 145985667
(2-methylphenyl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 145983374
D-Phenyl alanine
CID 18640396
Methyl 4-(4-chlorophenoxy)pyrrolidine-2-carboxylate
CID 14036187

Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of phenyl (2S)-pyrrolidine-2-carboxylate (CID 15598567) is phenyl (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for phenyl (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for phenyl (2S)-pyrrolidine-2-carboxylate is O=C(Oc1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of phenyl (2S)-pyrrolidine-2-carboxylate?
The InChIKey is QBVBNTIODVFFCG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(10-7-4-8-12-10)14-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2/t10-/m0/s1.
What are the key properties of phenyl (2S)-pyrrolidine-2-carboxylate?
phenyl (2S)-pyrrolidine-2-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 15598567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).