ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate

C21H23NO5 — CID 14632322

IUPACethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate
SMILESCCOC(=O)[C@H](Cc1ccc(OCC2CO2)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H23NO5/c1-2-25-21(24)19(22-20(23)16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)26-13-18-14-27-18/h3-11,18-19H,2,12-14H2,1H3,(H,22,23)/t18?,19-/m0/s1
InChIKeyZVEHQCBNPYJTMQ-GGYWPGCISA-N
MW369.42 g/mol
LogP2.37
Rot. Bonds9

About ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate

ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate (PubChem CID 14632322) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate
PubChem CID14632322
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Nameethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate
SMILESCCOC(=O)[C@H](Cc1ccc(OCC2CO2)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H23NO5/c1-2-25-21(24)19(22-20(23)16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)26-13-18-14-27-18/h3-11,18-19H,2,12-14H2,1H3,(H,22,23)/t18?,19-/m0/s1
InChIKeyZVEHQCBNPYJTMQ-GGYWPGCISA-N
XLogP2.37
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]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 (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate
CID 135022569
butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 101068161
[4-(2-benzamido-3-ethoxy-3-oxopropyl)-2-benzoyloxyphenyl] benzoate
CID 162952199
ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
CID 142971104
methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
CID 2801513
(2S)-2-benzamido-3-(4-ethoxyphenyl)propanoic acid;2-propan-2-ylguanidine
CID 145154252
(2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate
CID 6947599
hexyl 2-benzamido-3-phenylpropanoate
CID 569464
ethyl (2S)-3-phenyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
CID 129232233
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
N-[(2R)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 40631438
ethyl 2-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 12607993

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate?
The IUPAC name of ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate (CID 14632322) is ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate.
What is the SMILES notation for ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate?
The canonical SMILES for ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate is CCOC(=O)[C@H](Cc1ccc(OCC2CO2)cc1)NC(=O)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate?
The InChIKey is ZVEHQCBNPYJTMQ-GGYWPGCISA-N. The full InChI is InChI=1S/C21H23NO5/c1-2-25-21(24)19(22-20(23)16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)26-13-18-14-27-18/h3-11,18-19H,2,12-14H2,1H3,(H,22,23)/t18?,19-/m0/s1.
What are the key properties of ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate?
ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate has a molecular weight of 369.42 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate is sourced from PubChem (CID 14632322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).