methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate

C17H25NO4 — CID 59066570

IUPACmethyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate
SMILESCOC(=O)CC(C)COc1cc(N)ccc1OC1CCCC1
InChIInChI=1S/C17H25NO4/c1-12(9-17(19)20-2)11-21-16-10-13(18)7-8-15(16)22-14-5-3-4-6-14/h7-8,10,12,14H,3-6,9,11,18H2,1-2H3
InChIKeyIBNRAOKXDWATLK-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.17
Rot. Bonds7

About methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate

methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate (PubChem CID 59066570) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate
PubChem CID59066570
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namemethyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate
SMILESCOC(=O)CC(C)COc1cc(N)ccc1OC1CCCC1
InChIInChI=1S/C17H25NO4/c1-12(9-17(19)20-2)11-21-16-10-13(18)7-8-15(16)22-14-5-3-4-6-14/h7-8,10,12,14H,3-6,9,11,18H2,1-2H3
InChIKeyIBNRAOKXDWATLK-UHFFFAOYSA-N
XLogP3.17
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-amino-2-(4-methoxy-2-methyl-4-oxobutoxy)phenoxy]piperidin-1-yl]-methylborinic acid
CID 59066536
tert-butyl 4-[4-amino-2-(4-methoxy-2-methyl-4-oxobutoxy)phenoxy]piperidine-1-carboxylate
CID 142076376
4-cyclohexyloxy-3-phenylmethoxyaniline
CID 164888754
ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate
CID 59442324
5-amino-2-cyclohexyloxybenzamide
CID 55125066
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
CID 19892499
methyl 4-amino-2-(3-hydroxy-2-methylpropoxy)benzoate
CID 106955001
3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 22022327
methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
CID 106955060
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide
CID 100655389
methyl (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-nitrobutanoate
CID 24741046

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate?
The IUPAC name of methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate (CID 59066570) is methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate.
What is the SMILES notation for methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate?
The canonical SMILES for methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate is COC(=O)CC(C)COc1cc(N)ccc1OC1CCCC1.
What is the InChIKey of methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate?
The InChIKey is IBNRAOKXDWATLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12(9-17(19)20-2)11-21-16-10-13(18)7-8-15(16)22-14-5-3-4-6-14/h7-8,10,12,14H,3-6,9,11,18H2,1-2H3.
What are the key properties of methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate?
methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate has a molecular weight of 307.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate is sourced from PubChem (CID 59066570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).