5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid

C15H20N2O4 — CID 60941960

IUPAC5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-11(18)17(2)10-12-5-3-6-13(9-12)16-14(19)7-4-8-15(20)21/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyXOQKAUCIUWFASC-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.86
Rot. Bonds7

About 5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid

5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid (PubChem CID 60941960) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
PubChem CID60941960
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-11(18)17(2)10-12-5-3-6-13(9-12)16-14(19)7-4-8-15(20)21/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyXOQKAUCIUWFASC-UHFFFAOYSA-N
XLogP1.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
CID 43699890
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide
CID 51089316
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide
CID 33228520
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 38585805
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-(5-bromo-1,3-dioxoisoindol-2-yl)butanamide
CID 33229147
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid
CID 54868224

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid (CID 60941960) is 5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid is CC(=O)N(C)Cc1cccc(NC(=O)CCCC(=O)O)c1.
What is the InChIKey of 5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid?
The InChIKey is XOQKAUCIUWFASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(18)17(2)10-12-5-3-6-13(9-12)16-14(19)7-4-8-15(20)21/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid?
5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid is sourced from PubChem (CID 60941960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).