tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate

C20H28N2O5 — CID 97111035

IUPACtert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H]2C[C@H](CNC(=O)OCc3ccccc3)O[C@H]2C1
InChIInChI=1S/C20H28N2O5/c1-20(2,3)27-19(24)22-11-15-9-16(26-17(15)12-22)10-21-18(23)25-13-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3,(H,21,23)/t15-,16-,17+/m1/s1
InChIKeyFJWIJNWULWSJNU-ZACQAIPSSA-N
MW376.45 g/mol
LogP2.94
Rot. Bonds4

About tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate

tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate (PubChem CID 97111035) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
PubChem CID97111035
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nametert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H]2C[C@H](CNC(=O)OCc3ccccc3)O[C@H]2C1
InChIInChI=1S/C20H28N2O5/c1-20(2,3)27-19(24)22-11-15-9-16(26-17(15)12-22)10-21-18(23)25-13-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3,(H,21,23)/t15-,16-,17+/m1/s1
InChIKeyFJWIJNWULWSJNU-ZACQAIPSSA-N
XLogP2.94
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate with MolForge

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Related Compounds

tert-butyl 5-(phenylmethoxycarbonylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 77410972
tert-butyl (3S,4S)-3-methoxy-4-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate
CID 59026132
tert-butyl 3-hydroxy-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
CID 68809547
tert-butyl 4-(phenylmethoxycarbonylaminomethyl)azepane-1-carboxylate
CID 137424963
tert-butyl 3-[2-(phenylmethoxycarbonylamino)ethoxy]azetidine-1-carboxylate
CID 163373851
tert-butyl (3S,4R)-3-hydroxy-4-[2-(phenylmethoxycarbonylamino)ethyl]pyrrolidine-1-carboxylate
CID 129314133
benzyl N-(morpholin-2-ylmethyl)carbamate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)morpholine-4-carboxylate;dihydrochloride
CID 160880522
tert-butyl (4aS,6R,7aR)-6-(phenylmethoxycarbonylamino)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylate
CID 70371401
tert-butyl 4-[2-(phenylmethoxycarbonylamino)ethylamino]piperidine-1-carboxylate
CID 18971591
1-O-tert-butyl 3-O-methyl (3S,5R)-5-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 70274467
tert-butyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethyl]-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 86604954
tert-butyl (3R,4R)-3-ethyl-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 168786450

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate (CID 97111035) is tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate is CC(C)(C)OC(=O)N1C[C@H]2C[C@H](CNC(=O)OCc3ccccc3)O[C@H]2C1.
What is the InChIKey of tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate?
The InChIKey is FJWIJNWULWSJNU-ZACQAIPSSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-20(2,3)27-19(24)22-11-15-9-16(26-17(15)12-22)10-21-18(23)25-13-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3,(H,21,23)/t15-,16-,17+/m1/s1.
What are the key properties of tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate?
tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate is sourced from PubChem (CID 97111035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).