(2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid

C14H16N2O4 — CID 78922047

IUPAC(2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C14H16N2O4/c1-9-4-6-10(7-5-9)15-12(17)13(18)16-8-2-3-11(16)14(19)20/h4-7,11H,2-3,8H2,1H3,(H,15,17)(H,19,20)/t11-/m1/s1
InChIKeyOCOSSHJMNRNVRG-LLVKDONJSA-N
MW276.29 g/mol
LogP1.01
Rot. Bonds2

About (2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922047) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid
PubChem CID78922047
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C14H16N2O4/c1-9-4-6-10(7-5-9)15-12(17)13(18)16-8-2-3-11(16)14(19)20/h4-7,11H,2-3,8H2,1H3,(H,15,17)(H,19,20)/t11-/m1/s1
InChIKeyOCOSSHJMNRNVRG-LLVKDONJSA-N
XLogP1.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-methylanilino)-2-oxoacetyl]thiomorpholine-3-carboxylic acid
CID 82901774
2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid
CID 61370466
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678
(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051495
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468668
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
1-[(3-bromo-4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63334627

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid (CID 78922047) is (2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid is Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OCOSSHJMNRNVRG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9-4-6-10(7-5-9)15-12(17)13(18)16-8-2-3-11(16)14(19)20/h4-7,11H,2-3,8H2,1H3,(H,15,17)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).