3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid

C16H23NO4 — CID 81065749

IUPAC3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid
SMILESCCc1ccc(OCC(=O)NCC(CC)CC(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-3-12-5-7-14(8-6-12)21-11-15(18)17-10-13(4-2)9-16(19)20/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNFMHSBIFUOIESA-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.24
Rot. Bonds9

About 3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid

3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid (PubChem CID 81065749) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid
PubChem CID81065749
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid
SMILESCCc1ccc(OCC(=O)NCC(CC)CC(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-3-12-5-7-14(8-6-12)21-11-15(18)17-10-13(4-2)9-16(19)20/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNFMHSBIFUOIESA-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic 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-[[[2-(4-methylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065403
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
N-(2-ethylbutyl)-2-phenoxyacetamide
CID 115612512
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
N-(3-amino-2-methylpropyl)-2-(4-ethylphenoxy)acetamide
CID 119996402
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 103770190
N-[2-(diethylamino)-2-phenylethyl]-2-(4-ethylphenoxy)acetamide
CID 45155375
2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid
CID 43239975
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312
(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 107821449

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid (CID 81065749) is 3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid is CCc1ccc(OCC(=O)NCC(CC)CC(=O)O)cc1.
What is the InChIKey of 3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid?
The InChIKey is NFMHSBIFUOIESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-12-5-7-14(8-6-12)21-11-15(18)17-10-13(4-2)9-16(19)20/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid?
3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81065749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).