2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid

C12H15NO5 — CID 28762787

IUPAC2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
SMILESCOCCNC(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-17-6-5-13-12(16)9-3-2-4-10(7-9)18-8-11(14)15/h2-4,7H,5-6,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyACNUVFRLDOFXDX-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.53
Rot. Bonds7

About 2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid

2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid (PubChem CID 28762787) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
PubChem CID28762787
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
SMILESCOCCNC(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-17-6-5-13-12(16)9-3-2-4-10(7-9)18-8-11(14)15/h2-4,7H,5-6,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyACNUVFRLDOFXDX-UHFFFAOYSA-N
XLogP0.53
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387117
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide
CID 54956323
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid
CID 112739190
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid (CID 28762787) is 2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid is COCCNC(=O)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid?
The InChIKey is ACNUVFRLDOFXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-17-6-5-13-12(16)9-3-2-4-10(7-9)18-8-11(14)15/h2-4,7H,5-6,8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid?
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid is sourced from PubChem (CID 28762787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).