(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

C13H15NO3 — CID 673097

IUPAC(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cccc(N2C[C@H](C(=O)O)CC2=O)c1C
InChIInChI=1S/C13H15NO3/c1-8-4-3-5-11(9(8)2)14-7-10(13(16)17)6-12(14)15/h3-5,10H,6-7H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyOPPJYODZNFUYTP-SNVBAGLBSA-N
MW233.27 g/mol
LogP1.74
Rot. Bonds2

About (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 673097) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID673097
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cccc(N2C[C@H](C(=O)O)CC2=O)c1C
InChIInChI=1S/C13H15NO3/c1-8-4-3-5-11(9(8)2)14-7-10(13(16)17)6-12(14)15/h3-5,10H,6-7H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyOPPJYODZNFUYTP-SNVBAGLBSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119136682
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119209621
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 46557552
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
(2S)-4-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129468641
2-[2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218549
6-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137380

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 673097) is (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid is Cc1cccc(N2C[C@H](C(=O)O)CC2=O)c1C.
What is the InChIKey of (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OPPJYODZNFUYTP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-4-3-5-11(9(8)2)14-7-10(13(16)17)6-12(14)15/h3-5,10H,6-7H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 673097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).