1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid

C13H15NO3 — CID 2831887

IUPAC1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C13H15NO3/c15-12(9-10-5-2-1-3-6-10)14-8-4-7-11(14)13(16)17/h1-3,5-6,11H,4,7-9H2,(H,16,17)
InChIKeyUBQCWSGRNIOFFC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.30
Rot. Bonds3

About 1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid

1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 2831887) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
PubChem CID2831887
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C13H15NO3/c15-12(9-10-5-2-1-3-6-10)14-8-4-7-11(14)13(16)17/h1-3,5-6,11H,4,7-9H2,(H,16,17)
InChIKeyUBQCWSGRNIOFFC-UHFFFAOYSA-N
XLogP1.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Lisinopril
CID 5362119
Enalaprilat
CID 5462501
Phenylacetylglutamine
CID 92258
N-Acetyl-L-phenylalanine
CID 74839
Lisinopril dihydrate
CID 5362118
(2S)-1-((2S)-2-(((1S)-1-carboxy-3-phenylpropyl)amino)propanoyl)pyrrolidine-2-carboxylic acid;dihydrate
CID 6917719
Afalanine
CID 2000
N-(2-Phenylacetyl)alanine
CID 564251
Pro-Phe
CID 6351946
2,5-Dihydro-2,5-dioxo-alpha-(phenylmethyl)-1H-pyrrole-1-acetic acid
CID 319938
(-)-N-Acetylphenylalanine
CID 101184
Lisinopril Hydrate
CID 22887897

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid (CID 2831887) is 1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UBQCWSGRNIOFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(9-10-5-2-1-3-6-10)14-8-4-7-11(14)13(16)17/h1-3,5-6,11H,4,7-9H2,(H,16,17).
What are the key properties of 1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid?
1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2831887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).