2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid

C15H18N2O4 — CID 61370466

IUPAC2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid
SMILESCc1ccc(NC(=O)C(=O)N2CCCC2CC(=O)O)cc1
InChIInChI=1S/C15H18N2O4/c1-10-4-6-11(7-5-10)16-14(20)15(21)17-8-2-3-12(17)9-13(18)19/h4-7,12H,2-3,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyKACRJXVSVCMREI-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.40
Rot. Bonds3

About 2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370466) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370466
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid
SMILESCc1ccc(NC(=O)C(=O)N2CCCC2CC(=O)O)cc1
InChIInChI=1S/C15H18N2O4/c1-10-4-6-11(7-5-10)16-14(20)15(21)17-8-2-3-12(17)9-13(18)19/h4-7,12H,2-3,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyKACRJXVSVCMREI-UHFFFAOYSA-N
XLogP1.40
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.40
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

(2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid
CID 78922047
2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371172
N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108523479
2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
CID 61372139
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108522277
2-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-2-oxoacetamide
CID 47336169
2-[1-[(2-bromo-4-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61372529
N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108500088
2-[(2S)-1-(2-hydroxy-4-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 129366358
2-[1-[[4-(cyanomethyl)phenyl]carbamoyl]pyrrolidin-2-yl]acetic acid
CID 62302370
2-(2-ethylpiperidin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoacetamide
CID 108523560

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid (CID 61370466) is 2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid is Cc1ccc(NC(=O)C(=O)N2CCCC2CC(=O)O)cc1.
What is the InChIKey of 2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is KACRJXVSVCMREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-4-6-11(7-5-10)16-14(20)15(21)17-8-2-3-12(17)9-13(18)19/h4-7,12H,2-3,8-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).