(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid

C15H19NO3 — CID 94217785

IUPAC(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
SMILESCC(C)CN1C(=O)C[C@H](C(=O)O)[C@@H]1c1ccccc1
InChIInChI=1S/C15H19NO3/c1-10(2)9-16-13(17)8-12(15(18)19)14(16)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,18,19)/t12-,14-/m0/s1
InChIKeyDJDWDFNEKUILHT-JSGCOSHPSA-N
MW261.32 g/mol
LogP2.32
Rot. Bonds4

About (2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid

(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid (PubChem CID 94217785) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
PubChem CID94217785
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
SMILESCC(C)CN1C(=O)C[C@H](C(=O)O)[C@@H]1c1ccccc1
InChIInChI=1S/C15H19NO3/c1-10(2)9-16-13(17)8-12(15(18)19)14(16)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,18,19)/t12-,14-/m0/s1
InChIKeyDJDWDFNEKUILHT-JSGCOSHPSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 4025878
(2R,3R)-1-(2-hydroxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 125421430
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850
(2S,3R)-1-[(2R)-butan-2-yl]-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217803
1-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 81313302
(2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217776
(2R,3S)-5-oxo-2-phenyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95311589
(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7784530
(2S,3S)-5-oxo-1-propyl-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 167464072
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7144611

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid (CID 94217785) is (2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid is CC(C)CN1C(=O)C[C@H](C(=O)O)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is DJDWDFNEKUILHT-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)9-16-13(17)8-12(15(18)19)14(16)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,18,19)/t12-,14-/m0/s1.
What are the key properties of (2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 94217785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).