prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate

C25H43N3O7Si — CID 173351141

IUPACprop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate
SMILESC=CCOC(=O)NC[C@@H](CN(C)C(=O)OCC=C)C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C25H43N3O7Si/c1-9-11-33-23(31)26-14-17(15-28(6)24(32)34-12-10-2)20(29)13-19-21(22(30)27-19)18(25(3,4)5)16-35-36(7)8/h9-10,17-19,21,36H,1-2,11-16H2,3-8H3,(H,26,31)(H,27,30)/t17-,18+,19+,21-/m0/s1
InChIKeyFMIWQFKSBIFNJL-PXCRPINLSA-N
MW525.72 g/mol
LogP2.51
Rot. Bonds15

About prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate

prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate (PubChem CID 173351141) has the molecular formula C25H43N3O7Si and a molecular weight of 525.72 g/mol. Its IUPAC name is prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate
PubChem CID173351141
Molecular FormulaC25H43N3O7Si
Molecular Weight525.72 g/mol
Exact Mass525.29
IUPAC Nameprop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate
SMILESC=CCOC(=O)NC[C@@H](CN(C)C(=O)OCC=C)C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C25H43N3O7Si/c1-9-11-33-23(31)26-14-17(15-28(6)24(32)34-12-10-2)20(29)13-19-21(22(30)27-19)18(25(3,4)5)16-35-36(7)8/h9-10,17-19,21,36H,1-2,11-16H2,3-8H3,(H,26,31)(H,27,30)/t17-,18+,19+,21-/m0/s1
InChIKeyFMIWQFKSBIFNJL-PXCRPINLSA-N
XLogP2.51
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate 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 prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate?
The IUPAC name of prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate (CID 173351141) is prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate.
What is the SMILES notation for prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate?
The canonical SMILES for prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate is C=CCOC(=O)NC[C@@H](CN(C)C(=O)OCC=C)C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[SiH](C)C)C(C)(C)C.
What is the InChIKey of prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate?
The InChIKey is FMIWQFKSBIFNJL-PXCRPINLSA-N. The full InChI is InChI=1S/C25H43N3O7Si/c1-9-11-33-23(31)26-14-17(15-28(6)24(32)34-12-10-2)20(29)13-19-21(22(30)27-19)18(25(3,4)5)16-35-36(7)8/h9-10,17-19,21,36H,1-2,11-16H2,3-8H3,(H,26,31)(H,27,30)/t17-,18+,19+,21-/m0/s1.
What are the key properties of prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate?
prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate has a molecular weight of 525.72 g/mol, XLogP of 2.51, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate is sourced from PubChem (CID 173351141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).