2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid

C16H23NO4 — CID 65223505

IUPAC2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CCOc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-3-4-13(16(19)20)11-17-15(18)9-10-21-14-7-5-12(2)6-8-14/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOBMXFHQPKWWCHU-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.38
Rot. Bonds9

About 2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid

2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid (PubChem CID 65223505) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid
PubChem CID65223505
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CCOc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-3-4-13(16(19)20)11-17-15(18)9-10-21-14-7-5-12(2)6-8-14/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOBMXFHQPKWWCHU-UHFFFAOYSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574
3-methoxy-4-[3-(4-methylphenoxy)propanoylamino]butanoic acid
CID 103153206
2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 65219294
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
2-[[3-(4-ethylphenyl)propanoylamino]methyl]pentanoic acid
CID 65219639
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644
3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106113357
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid
CID 108789938
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid (CID 65223505) is 2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid is CCCC(CNC(=O)CCOc1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid?
The InChIKey is OBMXFHQPKWWCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-4-13(16(19)20)11-17-15(18)9-10-21-14-7-5-12(2)6-8-14/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid?
2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65223505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).