tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate

C15H22N2O4 — CID 130394633

IUPACtert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate
SMILESCON1C(=O)[C@H](CC23C4CC[C@@H]2C43)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-14(2,3)21-13(19)16-10(12(18)17(16)20-4)7-15-8-5-6-9(15)11(8)15/h8-11H,5-7H2,1-4H3/t8-,9?,10+,11?,15?/m1/s1
InChIKeyJRJHLGUZPAWHBP-HNRMMGHSSA-N
MW294.35 g/mol
LogP1.96
Rot. Bonds3

About tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate

tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate (PubChem CID 130394633) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate
PubChem CID130394633
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate
SMILESCON1C(=O)[C@H](CC23C4CC[C@@H]2C43)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-14(2,3)21-13(19)16-10(12(18)17(16)20-4)7-15-8-5-6-9(15)11(8)15/h8-11H,5-7H2,1-4H3/t8-,9?,10+,11?,15?/m1/s1
InChIKeyJRJHLGUZPAWHBP-HNRMMGHSSA-N
XLogP1.96
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (4S)-2-methoxy-3-oxo-4-[(2-oxopyrrolidin-3-yl)methyl]diazetidine-1-carboxylate
CID 130394429
tert-butyl (4S)-4-(cyclopenten-1-ylmethyl)-2-methoxy-3-oxodiazetidine-1-carboxylate
CID 130394628
ditert-butyl (3S,6R)-3,6-dimethyldiazinane-1,2-dicarboxylate
CID 101100448
tert-butyl 1-(methoxymethyl)-3-oxo-5-azabicyclo[2.1.0]pentane-5-carboxylate
CID 163951043
tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate
CID 131152423
1-O-tert-butyl 2-O-methyl (2S,4R)-2-amino-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 175821206
ditert-butyl (2S,5R)-5-formyl-6-oxopiperidine-1,2-dicarboxylate
CID 101213409
tert-butyl (3R,5S)-5-(hydroxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 22883709
tert-butyl 3-iodo-2-oxopyrrolidine-1-carboxylate
CID 156755217
tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
CID 11736302
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
tert-butyl 5-(iodomethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 130003338

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate?
The IUPAC name of tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate (CID 130394633) is tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate is CON1C(=O)[C@H](CC23C4CC[C@@H]2C43)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate?
The InChIKey is JRJHLGUZPAWHBP-HNRMMGHSSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-14(2,3)21-13(19)16-10(12(18)17(16)20-4)7-15-8-5-6-9(15)11(8)15/h8-11H,5-7H2,1-4H3/t8-,9?,10+,11?,15?/m1/s1.
What are the key properties of tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate?
tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2-methoxy-3-oxo-4-[[(5R)-1-tricyclo[3.1.0.02,6]hexanyl]methyl]diazetidine-1-carboxylate is sourced from PubChem (CID 130394633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).