benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate

C26H25N3O5 — CID 44577213

IUPACbenzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C(=O)N[C@@H]1Oc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22-,25+/m0/s1
InChIKeyNGAUZCRIRRLFOO-WRALFONMSA-N
MW459.50 g/mol
LogP2.54
Rot. Bonds9

About benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate

benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate (PubChem CID 44577213) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate
PubChem CID44577213
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Namebenzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C(=O)N[C@@H]1Oc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22-,25+/m0/s1
InChIKeyNGAUZCRIRRLFOO-WRALFONMSA-N
XLogP2.54
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate (CID 44577213) is benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate is O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C(=O)N[C@@H]1Oc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate?
The InChIKey is NGAUZCRIRRLFOO-WRALFONMSA-N. The full InChI is InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22-,25+/m0/s1.
What are the key properties of benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate has a molecular weight of 459.50 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-oxo-1-[[(3R,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 44577213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).