2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid

C16H23NO4 — CID 92923176

IUPAC2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid
SMILESCCC(C)(C)c1ccc(OCCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-4-16(2,3)12-5-7-13(8-6-12)21-10-9-14(18)17-11-15(19)20/h5-8H,4,9-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHBFSLTLXIUJONE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.34
Rot. Bonds8

About 2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid

2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid (PubChem CID 92923176) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid
PubChem CID92923176
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid
SMILESCCC(C)(C)c1ccc(OCCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-4-16(2,3)12-5-7-13(8-6-12)21-10-9-14(18)17-11-15(19)20/h5-8H,4,9-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHBFSLTLXIUJONE-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic 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

2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
2-[3-(4-chlorophenoxy)propanoylamino]acetic acid
CID 82042352
2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate
CID 9157092
hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate
CID 66336904
3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoic acid
CID 16778263
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 17093306
3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid
CID 172634530
2-[4-[3-(ethylamino)-3-oxopropoxy]phenyl]acetic acid
CID 62325818
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992
3-(aminomethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]hexan-3-ol
CID 106811541

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid?
The IUPAC name of 2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid (CID 92923176) is 2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid?
The canonical SMILES for 2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid is CCC(C)(C)c1ccc(OCCC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid?
The InChIKey is HBFSLTLXIUJONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-16(2,3)12-5-7-13(8-6-12)21-10-9-14(18)17-11-15(19)20/h5-8H,4,9-11H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid?
2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid is sourced from PubChem (CID 92923176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).