(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid

C13H15NO3 — CID 723633

IUPAC(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid
SMILESC[C@@H](c1ccccc1)N1C[C@H](C(=O)O)CC1=O
InChIInChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17)/t9-,11+/m0/s1
InChIKeyCFGKWSDAMXTRHE-GXSJLCMTSA-N
MW233.27 g/mol
LogP1.68
Rot. Bonds3

About (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid

(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid (PubChem CID 723633) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid
PubChem CID723633
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid
SMILESC[C@@H](c1ccccc1)N1C[C@H](C(=O)O)CC1=O
InChIInChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17)/t9-,11+/m0/s1
InChIKeyCFGKWSDAMXTRHE-GXSJLCMTSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 98909
1-((4-Methylphenyl)methyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2742110
5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid
CID 616196
1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CID 99024
1-(3-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2911491
1-[2-(4-Fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 3159590
1-(2-Ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2968626
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2741827
1-(4-Nonylbenzyl)pyrrolidine-3-carboxylic acid
CID 10215259
4-(Dibenzylamino)-4-oxobutanoic acid
CID 748295
1-(2-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2911975
3-Pyrrolidinecarboxylic acid, 5-oxo-1-(2-phenylethyl)-
CID 207650

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid (CID 723633) is (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid is C[C@@H](c1ccccc1)N1C[C@H](C(=O)O)CC1=O.
What is the InChIKey of (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CFGKWSDAMXTRHE-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17)/t9-,11+/m0/s1.
What are the key properties of (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid?
(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 723633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).