2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate

C21H23NO5 — CID 10666775

IUPAC2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
SMILESO=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OCCC1COC1)c1ccccc1
InChIInChI=1S/C21H23NO5/c23-19(21(25)27-12-11-15-13-26-14-15)18(16-7-3-1-4-8-16)22-20(24)17-9-5-2-6-10-17/h1-10,15,18-19,23H,11-14H2,(H,22,24)/t18-,19+/m0/s1
InChIKeyYOPDSZWTACHWKK-RBUKOAKNSA-N
MW369.42 g/mol
LogP2.10
Rot. Bonds8

About 2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate

2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate (PubChem CID 10666775) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Name2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
PubChem CID10666775
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
SMILESO=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OCCC1COC1)c1ccccc1
InChIInChI=1S/C21H23NO5/c23-19(21(25)27-12-11-15-13-26-14-15)18(16-7-3-1-4-8-16)22-20(24)17-9-5-2-6-10-17/h1-10,15,18-19,23H,11-14H2,(H,22,24)/t18-,19+/m0/s1
InChIKeyYOPDSZWTACHWKK-RBUKOAKNSA-N
XLogP2.10
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate 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

3-(oxetan-3-yl)propyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 11794358
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 102178448
ethyl (2S,3S)-3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoate
CID 163362380
ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 175230442
3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 175045736
ethyl (2S,3S)-3-[(4-tert-butylbenzoyl)amino]-2-hydroxy-3-phenylpropanoate
CID 163362379
ethyl (2S,3S)-3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 163362371
(2S,3R)-3-benzamido-2-hydroxy-3-phenylpropanethioic S-acid
CID 18660976
N-(2-hydroxy-3-oxo-1-phenylbutyl)benzamide
CID 71218694
N-(2,3-dihydroxy-1-phenylpropyl)benzamide
CID 14650575
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
3-[(7-chloroquinolin-4-yl)amino]propyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 71764581

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate?
The IUPAC name of 2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate (CID 10666775) is 2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for 2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for 2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate is O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OCCC1COC1)c1ccccc1.
What is the InChIKey of 2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate?
The InChIKey is YOPDSZWTACHWKK-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H23NO5/c23-19(21(25)27-12-11-15-13-26-14-15)18(16-7-3-1-4-8-16)22-20(24)17-9-5-2-6-10-17/h1-10,15,18-19,23H,11-14H2,(H,22,24)/t18-,19+/m0/s1.
What are the key properties of 2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate?
2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate has a molecular weight of 369.42 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 10666775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).