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

C12H13NO3 — CID 124510271

IUPAC(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CC(=O)N1c1ccccc1
InChIInChI=1S/C12H13NO3/c1-8-10(12(15)16)7-11(14)13(8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,15,16)/t8-,10-/m1/s1
InChIKeyYHQRDMJIMOWCMU-PSASIEDQSA-N
MW219.24 g/mol
LogP1.51
Rot. Bonds2

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

(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (PubChem CID 124510271) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
PubChem CID124510271
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CC(=O)N1c1ccccc1
InChIInChI=1S/C12H13NO3/c1-8-10(12(15)16)7-11(14)13(8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,15,16)/t8-,10-/m1/s1
InChIKeyYHQRDMJIMOWCMU-PSASIEDQSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 117021760
(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 16731773
(2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 159792688
1-(2,5-dimethylphenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 117021749
2-(2-methoxynaphthalen-1-yl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 13361994
2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 62302716
3-methyl-7-oxo-4-phenyl-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 56619589
1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 107811853
1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302419
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527
1,4,5-triphenylpyrrolidin-2-one
CID 3541740
(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217785

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (CID 124510271) is (2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CC(=O)N1c1ccccc1.
What is the InChIKey of (2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is YHQRDMJIMOWCMU-PSASIEDQSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-10(12(15)16)7-11(14)13(8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,15,16)/t8-,10-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124510271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).