3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid

C15H20N2O4 — CID 62964546

IUPAC3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid
SMILESCNC(=O)c1ccc(CNC(=O)CC(C)CC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-10(8-14(19)20)7-13(18)17-9-11-3-5-12(6-4-11)15(21)16-2/h3-6,10H,7-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyJESARFCZFCDUOE-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.16
Rot. Bonds7

About 3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid

3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid (PubChem CID 62964546) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid
PubChem CID62964546
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid
SMILESCNC(=O)c1ccc(CNC(=O)CC(C)CC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-10(8-14(19)20)7-13(18)17-9-11-3-5-12(6-4-11)15(21)16-2/h3-6,10H,7-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyJESARFCZFCDUOE-UHFFFAOYSA-N
XLogP1.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62964014
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
2-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569186
2-methyl-3-[[4-(methylcarbamoyl)phenyl]methylamino]-3-oxopropanoic acid
CID 114898130
N-methyl-4-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]benzamide
CID 111125420
N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 11209167
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 62963858
4-[(3,4-dimethylpentanoylamino)methyl]benzoic acid
CID 119165475
3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid (CID 62964546) is 3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid is CNC(=O)c1ccc(CNC(=O)CC(C)CC(=O)O)cc1.
What is the InChIKey of 3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid?
The InChIKey is JESARFCZFCDUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(8-14(19)20)7-13(18)17-9-11-3-5-12(6-4-11)15(21)16-2/h3-6,10H,7-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid?
3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 62964546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).