AV18200
1133325-57-1 | tert-Butyl 7-oxo-6-((S)-1-phenylethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18200
ChemicalName
tert-Butyl 7-oxo-6-((S)-1-phenylethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CasNumber
1133325-57-1
MolecularFormula
C18H24N2O3
MolecularWeight
316.3948
MdlNumber
MFCD29917035
Smiles
C[C@H](N1C2CCN(C2C1=O)C(=O)OC(C)(C)C)c1ccccc1
Complexity
479
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
2.5
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CatalogNumber: AV18200
ChemicalName: tert-Butyl 7-oxo-6-((S)-1-phenylethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CasNumber: 1133325-57-1
MolecularFormula: C18H24N2O3
MolecularWeight: 316.3948
MdlNumber: MFCD29917035
Smiles: C[C@H](N1C2CCN(C2C1=O)C(=O)OC(C)(C)C)c1ccccc1
Complexity: 479
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.5
CatalogNumber:
AV18200
ChemicalName:
tert-Butyl 7-oxo-6-((S)-1-phenylethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CasNumber:
1133325-57-1
MolecularFormula:
C18H24N2O3
MolecularWeight:
316.3948
MdlNumber:
MFCD29917035
Smiles:
C[C@H](N1C2CCN(C2C1=O)C(=O)OC(C)(C)C)c1ccccc1
Complexity:
479
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)/C=C/c1ccc(cc1[N+](=O)[O-])C#N
Complexity: 391
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)/C=C/c1ccc(cc1[N+](=O)[O-])C#N
Complexity:
391
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCS(=O)CC1)OC(C)(C)C
Complexity: 237
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCS(=O)CC1)OC(C)(C)C
Complexity:
237
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.1
CatalogNumber: AV18203
ChemicalName: tert-Butyl 8-(2-aminoethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CasNumber: 1823417-57-7
MolecularFormula: C13H24N2O3
MolecularWeight: 256.3413
MdlNumber: MFCD28119004
Smiles: NCCC1CCOC21CN(C2)C(=O)OC(C)(C)C
Complexity: 319
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.4
CatalogNumber:
AV18203
ChemicalName:
tert-Butyl 8-(2-aminoethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CasNumber:
1823417-57-7
MolecularFormula:
C13H24N2O3
MolecularWeight:
256.3413
MdlNumber:
MFCD28119004
Smiles:
NCCC1CCOC21CN(C2)C(=O)OC(C)(C)C
Complexity:
319
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.4