ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate

C13H19NO4 — CID 55246185

IUPACethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
SMILESCCOC(=O)C(N)CCOc1ccccc1CO
InChIInChI=1S/C13H19NO4/c1-2-17-13(16)11(14)7-8-18-12-6-4-3-5-10(12)9-15/h3-6,11,15H,2,7-9,14H2,1H3
InChIKeyDOEWHGLOWMPYSP-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.84
Rot. Bonds7

About ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate

ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate (PubChem CID 55246185) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
PubChem CID55246185
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
SMILESCCOC(=O)C(N)CCOc1ccccc1CO
InChIInChI=1S/C13H19NO4/c1-2-17-13(16)11(14)7-8-18-12-6-4-3-5-10(12)9-15/h3-6,11,15H,2,7-9,14H2,1H3
InChIKeyDOEWHGLOWMPYSP-UHFFFAOYSA-N
XLogP0.84
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660550
[2-(3,3-diethoxypropoxy)phenyl]methanol
CID 63654292
4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide
CID 63652935
diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate
CID 139661476
ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 63034432
(2-octoxyphenyl)methanol
CID 43128604
ethyl 2-amino-4-(4-methylphenoxy)butanoate
CID 63041349
ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate
CID 170885936
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
ethyl 2-amino-4-(2-phenoxyethoxy)butanoate
CID 63039473
ethyl 2-amino-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanoate
CID 170886092
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate?
The IUPAC name of ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate (CID 55246185) is ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate?
The canonical SMILES for ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate is CCOC(=O)C(N)CCOc1ccccc1CO.
What is the InChIKey of ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate?
The InChIKey is DOEWHGLOWMPYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-17-13(16)11(14)7-8-18-12-6-4-3-5-10(12)9-15/h3-6,11,15H,2,7-9,14H2,1H3.
What are the key properties of ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate?
ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate has a molecular weight of 253.30 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate is sourced from PubChem (CID 55246185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).