2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid

C15H23NO4 — CID 82352836

IUPAC2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid
SMILESCc1ccc(CCC(OCCOCCN)C(=O)O)cc1
InChIInChI=1S/C15H23NO4/c1-12-2-4-13(5-3-12)6-7-14(15(17)18)20-11-10-19-9-8-16/h2-5,14H,6-11,16H2,1H3,(H,17,18)
InChIKeyTUSWDHVDINFNAI-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.37
Rot. Bonds10

About 2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid

2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid (PubChem CID 82352836) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid
PubChem CID82352836
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid
SMILESCc1ccc(CCC(OCCOCCN)C(=O)O)cc1
InChIInChI=1S/C15H23NO4/c1-12-2-4-13(5-3-12)6-7-14(15(17)18)20-11-10-19-9-8-16/h2-5,14H,6-11,16H2,1H3,(H,17,18)
InChIKeyTUSWDHVDINFNAI-UHFFFAOYSA-N
XLogP1.37
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.37
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-(2-aminoethoxy)-4-phenylbutanoic acid
CID 82352626
2-(2-aminoethyl)-3-methyl-5-(4-methylphenyl)pentanoic acid;ethane
CID 143015850
N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
CID 82354281
4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106450669
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 79464439
2-(2-hydroxyethoxy)ethyl 2-amino-3,4-dihydroxy-6-(4-methylphenyl)hexanoate
CID 143657179
4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103407397
(3S)-3-amino-5-(4-methylphenyl)pentanoic acid
CID 174696804
2-[5-(4-methylphenyl)pentoxy]ethyl acetate
CID 57045041
2-[4-[1-[2-(4-methylphenyl)ethoxyamino]prop-1-enyl]phenoxy]butanoic acid
CID 91599524
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
tert-butyl 2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[3-(4-methylphenyl)propanoyl]amino]acetate
CID 177239993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid (CID 82352836) is 2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid is Cc1ccc(CCC(OCCOCCN)C(=O)O)cc1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid?
The InChIKey is TUSWDHVDINFNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-12-2-4-13(5-3-12)6-7-14(15(17)18)20-11-10-19-9-8-16/h2-5,14H,6-11,16H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid?
2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid has a molecular weight of 281.35 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid is sourced from PubChem (CID 82352836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).