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

C16H23NO5 — CID 119203692

IUPAC4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)COCCOc1ccccc1
InChIInChI=1S/C16H23NO5/c1-16(2,9-8-15(19)20)17-14(18)12-21-10-11-22-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySAXOBQCCZAVRFZ-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.84
Rot. Bonds10

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

4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid (PubChem CID 119203692) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid
PubChem CID119203692
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)COCCOc1ccccc1
InChIInChI=1S/C16H23NO5/c1-16(2,9-8-15(19)20)17-14(18)12-21-10-11-22-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySAXOBQCCZAVRFZ-UHFFFAOYSA-N
XLogP1.84
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-4-(4-phenoxybutanoylamino)pentanoic acid
CID 62041775
4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
CID 119204238
4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid
CID 62041332
N-(2-methylbutan-2-yl)-4-phenoxybutanamide
CID 17372829
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid
CID 62042624
N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid
CID 119204659
4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid
CID 119204427
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125
2-(2-phenoxyethoxy)-N'-pyrimidin-2-ylacetohydrazide
CID 87015407
2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
CID 15307009

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid (CID 119203692) is 4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)COCCOc1ccccc1.
What is the InChIKey of 4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid?
The InChIKey is SAXOBQCCZAVRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-16(2,9-8-15(19)20)17-14(18)12-21-10-11-22-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid?
4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid has a molecular weight of 309.36 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119203692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).