2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid

C14H21NO4 — CID 115353092

IUPAC2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid
SMILESCCC(Nc1cccc(COCCOC)c1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-3-13(14(16)17)15-12-6-4-5-11(9-12)10-19-8-7-18-2/h4-6,9,13,15H,3,7-8,10H2,1-2H3,(H,16,17)
InChIKeyDXIILGUNTQVPOB-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.12
Rot. Bonds9

About 2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid

2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid (PubChem CID 115353092) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid
PubChem CID115353092
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid
SMILESCCC(Nc1cccc(COCCOC)c1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-3-13(14(16)17)15-12-6-4-5-11(9-12)10-19-8-7-18-2/h4-6,9,13,15H,3,7-8,10H2,1-2H3,(H,16,17)
InChIKeyDXIILGUNTQVPOB-UHFFFAOYSA-N
XLogP2.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.12
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

2-[3-(methoxymethyl)anilino]butanoic acid
CID 64668978
2-[3-[(dimethylamino)methyl]anilino]butanoic acid
CID 113292403
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
3-[3-(methoxymethyl)anilino]-2-methylbutanoic acid
CID 79392392
N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
CID 60942752
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
CID 106111842
2-[(3-ethylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81086104
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
methyl 2-[3-(2-methoxyethoxy)anilino]butanoate
CID 115353122
4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933897
3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972440

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid?
The IUPAC name of 2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid (CID 115353092) is 2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid.
What is the SMILES notation for 2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid?
The canonical SMILES for 2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid is CCC(Nc1cccc(COCCOC)c1)C(=O)O.
What is the InChIKey of 2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid?
The InChIKey is DXIILGUNTQVPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-13(14(16)17)15-12-6-4-5-11(9-12)10-19-8-7-18-2/h4-6,9,13,15H,3,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid?
2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid is sourced from PubChem (CID 115353092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).