methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate

C16H25NO4 — CID 107709921

IUPACmethyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate
SMILESCOC(=O)C(C)(N)CCCCOc1ccc(CCO)cc1
InChIInChI=1S/C16H25NO4/c1-16(17,15(19)20-2)10-3-4-12-21-14-7-5-13(6-8-14)9-11-18/h5-8,18H,3-4,9-12,17H2,1-2H3
InChIKeyCJNPNRUPJZNYSK-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.66
Rot. Bonds9

About methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate

methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate (PubChem CID 107709921) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate
PubChem CID107709921
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate
SMILESCOC(=O)C(C)(N)CCCCOc1ccc(CCO)cc1
InChIInChI=1S/C16H25NO4/c1-16(17,15(19)20-2)10-3-4-12-21-14-7-5-13(6-8-14)9-11-18/h5-8,18H,3-4,9-12,17H2,1-2H3
InChIKeyCJNPNRUPJZNYSK-UHFFFAOYSA-N
XLogP1.66
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(4-butylphenoxy)-2-methylhexanamide
CID 115493137
ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
CID 62549258
5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide
CID 107709955
methyl 2-amino-6-hydroxy-2-methylhexanoate
CID 88883524
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
CID 11639348
methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate
CID 107709939
6-[4-(2-hydroxyethyl)phenoxy]hexanehydrazide
CID 107710067
methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate
CID 62336916
methyl 2-amino-4-(4-butan-2-ylphenoxy)-2-methylbutanoate
CID 107667958
tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 46841627
methyl 4-(4-butylphenoxy)-2-methyl-2-(methylamino)butanoate
CID 115493155
2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid
CID 67648973

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate?
The IUPAC name of methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate (CID 107709921) is methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate.
What is the SMILES notation for methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate?
The canonical SMILES for methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate is COC(=O)C(C)(N)CCCCOc1ccc(CCO)cc1.
What is the InChIKey of methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate?
The InChIKey is CJNPNRUPJZNYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(17,15(19)20-2)10-3-4-12-21-14-7-5-13(6-8-14)9-11-18/h5-8,18H,3-4,9-12,17H2,1-2H3.
What are the key properties of methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate?
methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate has a molecular weight of 295.38 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate is sourced from PubChem (CID 107709921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).