2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid

C15H21NO5 — CID 4692653

IUPAC2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
SMILESCC(C)COc1cccc(OCC(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-10(2)8-20-12-5-4-6-13(7-12)21-9-14(17)16-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWVJLAWATIFDIGW-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.69
Rot. Bonds8

About 2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid

2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid (PubChem CID 4692653) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
PubChem CID4692653
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
SMILESCC(C)COc1cccc(OCC(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-10(2)8-20-12-5-4-6-13(7-12)21-9-14(17)16-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWVJLAWATIFDIGW-UHFFFAOYSA-N
XLogP1.69
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid (CID 4692653) is 2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid is CC(C)COc1cccc(OCC(=O)NC(C)C(=O)O)c1.
What is the InChIKey of 2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid?
The InChIKey is WVJLAWATIFDIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(2)8-20-12-5-4-6-13(7-12)21-9-14(17)16-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid?
2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid is sourced from PubChem (CID 4692653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).