1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid

C15H21NO4 — CID 81167838

IUPAC1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid
SMILESCCOc1ccc(OCCNC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H21NO4/c1-2-19-12-4-6-13(7-5-12)20-11-10-16-15(14(17)18)8-3-9-15/h4-7,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyFCXCYSLTCZFJAI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.06
Rot. Bonds8

About 1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid

1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 81167838) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid
PubChem CID81167838
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid
SMILESCCOc1ccc(OCCNC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H21NO4/c1-2-19-12-4-6-13(7-5-12)20-11-10-16-15(14(17)18)8-3-9-15/h4-7,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyFCXCYSLTCZFJAI-UHFFFAOYSA-N
XLogP2.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.06
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

1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid
CID 81167804
3-[2-(4-ethoxyphenoxy)ethylamino]propanoic acid
CID 43386866
1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81157933
1-[4-(4-methylphenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164001
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
1-(4-ethoxyphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 116855429
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217956
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid
CID 82133597
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
1-[2-(trifluoromethoxy)ethylamino]cyclobutane-1-carboxylic acid
CID 81166915

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid (CID 81167838) is 1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid is CCOc1ccc(OCCNC2(C(=O)O)CCC2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is FCXCYSLTCZFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-19-12-4-6-13(7-5-12)20-11-10-16-15(14(17)18)8-3-9-15/h4-7,16H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid?
1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).