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

C16H23NO4 — CID 119204238

IUPAC4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)COCCc1ccccc1
InChIInChI=1S/C16H23NO4/c1-16(2,10-8-15(19)20)17-14(18)12-21-11-9-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFTQYCZDLZYVTGC-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.01
Rot. Bonds9

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

4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid (PubChem CID 119204238) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
PubChem CID119204238
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)COCCc1ccccc1
InChIInChI=1S/C16H23NO4/c1-16(2,10-8-15(19)20)17-14(18)12-21-11-9-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFTQYCZDLZYVTGC-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid
CID 119203692
2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119187691
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 107910587
4-methyl-4-(4-phenoxybutanoylamino)pentanoic acid
CID 62041775
4-[[(2S)-2-amino-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 104984300
N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
CID 115870187
4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid
CID 119204427
4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid
CID 119204659
4-[4-(4-methoxyphenyl)butanoylamino]-4-methylpentanoic acid
CID 119203801
4-[3-(3,5-dimethoxyphenyl)propanoylamino]-4-methylpentanoic acid
CID 119204166
4-[[2-(3-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119357254
3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119191395

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid (CID 119204238) is 4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)COCCc1ccccc1.
What is the InChIKey of 4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid?
The InChIKey is FTQYCZDLZYVTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,10-8-15(19)20)17-14(18)12-21-11-9-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid?
4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119204238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).