4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid

C14H19NO5 — CID 43240316

IUPAC4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
SMILESCOc1ccccc1OCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C14H19NO5/c1-15(9-5-8-14(17)18)13(16)10-20-12-7-4-3-6-11(12)19-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyPKDFWMZBWOVEBO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.40
Rot. Bonds8

About 4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid

4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid (PubChem CID 43240316) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
PubChem CID43240316
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
SMILESCOc1ccccc1OCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C14H19NO5/c1-15(9-5-8-14(17)18)13(16)10-20-12-7-4-3-6-11(12)19-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyPKDFWMZBWOVEBO-UHFFFAOYSA-N
XLogP1.40
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic 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

4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43092346
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345
ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate
CID 19384713
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
4-[[2-(2,4-dibromophenoxy)acetyl]-methylamino]butanoic acid
CID 43092375
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 60988957
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyphenoxy)-N-methylacetamide
CID 119652382
4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]butanoic acid
CID 119173438
4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid
CID 43240334

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid (CID 43240316) is 4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid is COc1ccccc1OCC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid?
The InChIKey is PKDFWMZBWOVEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-15(9-5-8-14(17)18)13(16)10-20-12-7-4-3-6-11(12)19-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid?
4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid is sourced from PubChem (CID 43240316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).