3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid

C15H21NO4 — CID 60988957

IUPAC3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid
SMILESCC(C)c1ccccc1OCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C15H21NO4/c1-11(2)12-6-4-5-7-13(12)20-10-14(17)16(3)9-8-15(18)19/h4-7,11H,8-10H2,1-3H3,(H,18,19)
InChIKeyMEFGUEDWBJVLKP-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.12
Rot. Bonds7

About 3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid

3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid (PubChem CID 60988957) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid
PubChem CID60988957
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid
SMILESCC(C)c1ccccc1OCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C15H21NO4/c1-11(2)12-6-4-5-7-13(12)20-10-14(17)16(3)9-8-15(18)19/h4-7,11H,8-10H2,1-3H3,(H,18,19)
InChIKeyMEFGUEDWBJVLKP-UHFFFAOYSA-N
XLogP2.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic 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

N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498
4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43092346
N,N-bis(2-hydroxyethyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 60653391
4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43240316
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N,N-dimethyl-2-[2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279578
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid (CID 60988957) is 3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid is CC(C)c1ccccc1OCC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid?
The InChIKey is MEFGUEDWBJVLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(2)12-6-4-5-7-13(12)20-10-14(17)16(3)9-8-15(18)19/h4-7,11H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid?
3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 60988957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).