4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid

C15H18N2O4 — CID 60754710

IUPAC4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid
SMILESCN1CC(C(=O)N(C)Cc2ccc(C(=O)O)cc2)CC1=O
InChIInChI=1S/C15H18N2O4/c1-16-9-12(7-13(16)18)14(19)17(2)8-10-3-5-11(6-4-10)15(20)21/h3-6,12H,7-9H2,1-2H3,(H,20,21)
InChIKeyHKLVUOPATXSBBH-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.82
Rot. Bonds4

About 4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid

4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid (PubChem CID 60754710) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid
PubChem CID60754710
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid
SMILESCN1CC(C(=O)N(C)Cc2ccc(C(=O)O)cc2)CC1=O
InChIInChI=1S/C15H18N2O4/c1-16-9-12(7-13(16)18)14(19)17(2)8-10-3-5-11(6-4-10)15(20)21/h3-6,12H,7-9H2,1-2H3,(H,20,21)
InChIKeyHKLVUOPATXSBBH-UHFFFAOYSA-N
XLogP0.82
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 94099738
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 79382298
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94097512
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506
(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9365076
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94090987
4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61187481
4-[[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]methyl]benzoic acid
CID 81369065
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46110134
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113192236

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid (CID 60754710) is 4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid is CN1CC(C(=O)N(C)Cc2ccc(C(=O)O)cc2)CC1=O.
What is the InChIKey of 4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid?
The InChIKey is HKLVUOPATXSBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-9-12(7-13(16)18)14(19)17(2)8-10-3-5-11(6-4-10)15(20)21/h3-6,12H,7-9H2,1-2H3,(H,20,21).
What are the key properties of 4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid?
4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 60754710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).