ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate

C13H17NO4 — CID 78916962

IUPACethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)Cc1ccccc1O
InChIInChI=1S/C13H17NO4/c1-2-18-13(17)7-8-14-12(16)9-10-5-3-4-6-11(10)15/h3-6,15H,2,7-9H2,1H3,(H,14,16)
InChIKeyOGRGWXFHUYHGEA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.00
Rot. Bonds6

About ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate

ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate (PubChem CID 78916962) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
PubChem CID78916962
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)Cc1ccccc1O
InChIInChI=1S/C13H17NO4/c1-2-18-13(17)7-8-14-12(16)9-10-5-3-4-6-11(10)15/h3-6,15H,2,7-9H2,1H3,(H,14,16)
InChIKeyOGRGWXFHUYHGEA-UHFFFAOYSA-N
XLogP1.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(2-ethylbenzoyl)amino]propanoate
CID 70914012
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
CID 80741503
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
ethyl 3-[(2-bromophenyl)methylcarbamoylamino]propanoate
CID 108898028
N-[2-(carbamoylamino)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78994089
ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301
3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid
CID 68548212
N-(3-butoxypropyl)-2-(2-hydroxyphenyl)acetamide
CID 115601163

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate (CID 78916962) is ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate is CCOC(=O)CCNC(=O)Cc1ccccc1O.
What is the InChIKey of ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate?
The InChIKey is OGRGWXFHUYHGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-18-13(17)7-8-14-12(16)9-10-5-3-4-6-11(10)15/h3-6,15H,2,7-9H2,1H3,(H,14,16).
What are the key properties of ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate?
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate has a molecular weight of 251.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 78916962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).