benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate

C19H26N2O4 — CID 134997543

IUPACbenzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate
SMILESCC(C)(C)O[C@H]1CCN2C(=O)[C@@H](CNC(=O)OCc3ccccc3)[C@H]12
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-15-9-10-21-16(15)14(17(21)22)11-20-18(23)24-12-13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,20,23)/t14-,15-,16+/m0/s1
InChIKeyRUVBEWPNCKXVJB-HRCADAONSA-N
MW346.43 g/mol
LogP2.33
Rot. Bonds5

About benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate

benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate (PubChem CID 134997543) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate
PubChem CID134997543
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namebenzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate
SMILESCC(C)(C)O[C@H]1CCN2C(=O)[C@@H](CNC(=O)OCc3ccccc3)[C@H]12
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-15-9-10-21-16(15)14(17(21)22)11-20-18(23)24-12-13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,20,23)/t14-,15-,16+/m0/s1
InChIKeyRUVBEWPNCKXVJB-HRCADAONSA-N
XLogP2.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate 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

[(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-2-phenyl-propyl]-carbamic acid benzyl ester
CID 10047111
[(S)-1-((S)-7-Oxo-4-oxa-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-2-phenyl-propyl]-carbamic acid benzyl ester
CID 15858812
2-((2S,3S)-2-Acetoxy-4-oxo-azetidin-3-ylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester
CID 44304591
[(S)-2-Methyl-1-((5R,6S)-7-oxo-4-oxa-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-propyl]-carbamic acid benzyl ester
CID 44342776
[1-((S)-7-Oxo-4-oxa-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
CID 44342960
benzyl N-[1-[[1,2-dioxo-1-(oxolan-2-ylmethylamino)pentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 44353782
(2S,4R)-tert-butyl 4-(benzyloxy)-2-((S)-6-(benzyloxycarbonylamino)-1-tert-butoxy-1-oxohexan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 46938838
(2S,4R)-tert-butyl 4-(benzyloxy)-2-(((S)-6-(benzyloxycarbonylamino)-1-tert-butoxy-1-oxohexan-2-ylamino)methyl)pyrrolidine-1-carboxylate
CID 46938840
Acetic acid (2S,3S)-3-{[(R)-2-((S)-benzyloxycarbonylamino)-cyclopentanecarbonyl]-amino}-4-oxo-azetidin-2-yl ester
CID 44304634
(2S,4R)-tert-butyl 2-((S)-6-(benzyloxycarbonylamino)-1-tert-butoxy-1-oxohexan-2-ylcarbamoyl)-4-(cyclohexanecarbonyloxy)pyrrolidine-1-carboxylate
CID 46938744
(2S,4R)-tert-butyl 2-((S)-6-(benzyloxycarbonylamino)-1-tert-butoxy-1-oxohexan-2-ylcarbamoyl)-4-(cyclohexylmethoxy)pyrrolidine-1-carboxylate
CID 46938839
[(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester
CID 21309371

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate (CID 134997543) is benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate is CC(C)(C)O[C@H]1CCN2C(=O)[C@@H](CNC(=O)OCc3ccccc3)[C@H]12.
What is the InChIKey of benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate?
The InChIKey is RUVBEWPNCKXVJB-HRCADAONSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2,3)25-15-9-10-21-16(15)14(17(21)22)11-20-18(23)24-12-13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,20,23)/t14-,15-,16+/m0/s1.
What are the key properties of benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate?
benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate is sourced from PubChem (CID 134997543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).