AX03130
138027-02-8 | tert-Butyl cis-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AX03130
ChemicalName
tert-Butyl cis-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CasNumber
138027-02-8
MolecularFormula
C22H40N4O6
MolecularWeight
456.5762
MdlNumber
MFCD12198674
Smiles
O=C(N1C[C@H]2[C@@H](C1)NCCO2)OC(C)(C)C.O=C(N1C[C@@H]2[C@H](C1)NCCO2)OC(C)(C)C
Complexity
275
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AX03130
ChemicalName: tert-Butyl cis-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CasNumber: 138027-02-8
MolecularFormula: C22H40N4O6
MolecularWeight: 456.5762
MdlNumber: MFCD12198674
Smiles: O=C(N1C[C@H]2[C@@H](C1)NCCO2)OC(C)(C)C.O=C(N1C[C@@H]2[C@H](C1)NCCO2)OC(C)(C)C
Complexity: 275
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AX03130
ChemicalName:
tert-Butyl cis-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CasNumber:
138027-02-8
MolecularFormula:
C22H40N4O6
MolecularWeight:
456.5762
MdlNumber:
MFCD12198674
Smiles:
O=C(N1C[C@H]2[C@@H](C1)NCCO2)OC(C)(C)C.O=C(N1C[C@@H]2[C@H](C1)NCCO2)OC(C)(C)C
Complexity:
275
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
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Smiles: COc1ccc2n(c1)ncn2
Complexity: __
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Smiles:
COc1ccc2n(c1)ncn2
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HeavyAtomCount:
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Smiles: COc1cccc2n1ncn2
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Smiles:
COc1cccc2n1ncn2
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: NCc1nc2c(o1)ccnc2
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCc1nc2c(o1)ccnc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__