3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid

C13H17NO4 — CID 112511466

IUPAC3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
SMILESCNC(=O)CC(CC(=O)O)c1cccc(OC)c1
InChIInChI=1S/C13H17NO4/c1-14-12(15)7-10(8-13(16)17)9-4-3-5-11(6-9)18-2/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFNRQMZDRBGJELT-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.39
Rot. Bonds6

About 3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid

3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid (PubChem CID 112511466) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
PubChem CID112511466
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
SMILESCNC(=O)CC(CC(=O)O)c1cccc(OC)c1
InChIInChI=1S/C13H17NO4/c1-14-12(15)7-10(8-13(16)17)9-4-3-5-11(6-9)18-2/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFNRQMZDRBGJELT-UHFFFAOYSA-N
XLogP1.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid
CID 78961916
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide
CID 112511303
5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
CID 2812800
3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
CID 59831810
(3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 140551869
3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-(butanoylamino)-2-(3-methoxyphenyl)acetic acid
CID 112508886
5-[1-(3-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 61058990

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid?
The IUPAC name of 3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid (CID 112511466) is 3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid is CNC(=O)CC(CC(=O)O)c1cccc(OC)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid?
The InChIKey is FNRQMZDRBGJELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14-12(15)7-10(8-13(16)17)9-4-3-5-11(6-9)18-2/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid?
3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid is sourced from PubChem (CID 112511466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).