(3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

C12H13NO4 — CID 94076266

IUPAC(3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccc(N2C[C@H](C(=O)O)CC2=O)c(O)c1
InChIInChI=1S/C12H13NO4/c1-7-2-3-9(10(14)4-7)13-6-8(12(16)17)5-11(13)15/h2-4,8,14H,5-6H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyMPEGXTFPEAEOJC-MRVPVSSYSA-N
MW235.24 g/mol
LogP1.14
Rot. Bonds2

About (3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 94076266) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is (3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID94076266
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name(3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccc(N2C[C@H](C(=O)O)CC2=O)c(O)c1
InChIInChI=1S/C12H13NO4/c1-7-2-3-9(10(14)4-7)13-6-8(12(16)17)5-11(13)15/h2-4,8,14H,5-6H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyMPEGXTFPEAEOJC-MRVPVSSYSA-N
XLogP1.14
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

S-[1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705521
4-(bromomethyl)-1-(2-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168504445
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-1-(4-carboxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076055
(3S)-1-(5-ethyl-2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076258
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(3S)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 100804800
1-(6-bromo-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691094
ethyl (3R)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075680
(3R)-1-[(3S)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 94830850
1-(2-amino-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691859
1-(2-amino-4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691853

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 94076266) is (3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid is Cc1ccc(N2C[C@H](C(=O)O)CC2=O)c(O)c1.
What is the InChIKey of (3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is MPEGXTFPEAEOJC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7-2-3-9(10(14)4-7)13-6-8(12(16)17)5-11(13)15/h2-4,8,14H,5-6H2,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of (3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 94076266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).