tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate

C20H30N2O3 — CID 147841196

IUPACtert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate
SMILESC[C@H](c1ccccc1)N1CC2COCC[C@@]2(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H30N2O3/c1-15(16-8-6-5-7-9-16)22-12-17-13-24-11-10-20(17,14-22)21-18(23)25-19(2,3)4/h5-9,15,17H,10-14H2,1-4H3,(H,21,23)/t15-,17?,20-/m1/s1
InChIKeyHSZVLFMFZYSSHR-QMBUQHDCSA-N
MW346.47 g/mol
LogP3.36
Rot. Bonds3

About tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate

tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate (PubChem CID 147841196) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate
PubChem CID147841196
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nametert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate
SMILESC[C@H](c1ccccc1)N1CC2COCC[C@@]2(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H30N2O3/c1-15(16-8-6-5-7-9-16)22-12-17-13-24-11-10-20(17,14-22)21-18(23)25-19(2,3)4/h5-9,15,17H,10-14H2,1-4H3,(H,21,23)/t15-,17?,20-/m1/s1
InChIKeyHSZVLFMFZYSSHR-QMBUQHDCSA-N
XLogP3.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-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

Related Compounds

tert-butyl N-[(3aS,7aS)-6-oxo-2-[(1R)-1-phenylethyl]-1,3,4,5,7,7a-hexahydroisoindol-3a-yl]carbamate
CID 67491446
tert-butyl N-[(3aR,6aR)-3a-chloro-2-[(1R)-1-phenylethyl]-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-6a-yl]carbamate
CID 67490881
tert-butyl N-[(3aS,6aR)-3a-chloro-2-[(1R)-1-phenylethyl]-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-6a-yl]carbamate
CID 69173797
tert-butyl N-[(1R,5R)-5-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-1-yl]carbamate
CID 67490921
tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
CID 144619198
tert-butyl N-[(3aS,6aR)-3a-fluoro-2-[(1R)-1-phenylethyl]-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-6a-yl]carbamate
CID 67491116
tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate
CID 70917701
tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate
CID 22633915
tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
CID 170994169
benzyl (3aS,7aR)-3a-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-2-carboxylate
CID 67490817
tert-butyl N-[(3aR,7aR)-2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]carbamate
CID 90406229
(3aS,6aR)-2-(1-phenylethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680201

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate?
The IUPAC name of tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate (CID 147841196) is tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate?
The canonical SMILES for tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate is C[C@H](c1ccccc1)N1CC2COCC[C@@]2(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate?
The InChIKey is HSZVLFMFZYSSHR-QMBUQHDCSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(16-8-6-5-7-9-16)22-12-17-13-24-11-10-20(17,14-22)21-18(23)25-19(2,3)4/h5-9,15,17H,10-14H2,1-4H3,(H,21,23)/t15-,17?,20-/m1/s1.
What are the key properties of tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate?
tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate has a molecular weight of 346.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(7aS)-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]carbamate is sourced from PubChem (CID 147841196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).