2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid

C13H17NO5 — CID 110837124

IUPAC2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid
SMILESCOc1cccc(OCCC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-14(9-13(16)17)12(15)6-7-19-11-5-3-4-10(8-11)18-2/h3-5,8H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyILKJJIORPADYLK-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.01
Rot. Bonds7

About 2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid

2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid (PubChem CID 110837124) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid
PubChem CID110837124
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid
SMILESCOc1cccc(OCCC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-14(9-13(16)17)12(15)6-7-19-11-5-3-4-10(8-11)18-2/h3-5,8H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyILKJJIORPADYLK-UHFFFAOYSA-N
XLogP1.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(3-methoxyphenoxy)propanoyl-methylamino]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-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid
CID 43092155
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
2-[4-(4-fluorophenoxy)butanoyl-methylamino]acetic acid
CID 43356123
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid?
The IUPAC name of 2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid (CID 110837124) is 2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid?
The canonical SMILES for 2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid is COc1cccc(OCCC(=O)N(C)CC(=O)O)c1.
What is the InChIKey of 2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid?
The InChIKey is ILKJJIORPADYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-14(9-13(16)17)12(15)6-7-19-11-5-3-4-10(8-11)18-2/h3-5,8H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid?
2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid is sourced from PubChem (CID 110837124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).