AA56649
138026-93-4 | Racemic trans-hexahydro-pyrrolo[3,4-b][1,4]oxazine-6-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA56649
ChemicalName
Racemic trans-hexahydro-pyrrolo[3,4-b][1,4]oxazine-6-carboxylic acid tert-butyl ester
CasNumber
138026-93-4
MolecularFormula
C11H20N2O3
MolecularWeight
228.2881
MdlNumber
MFCD12198673
Smiles
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: AA56649
ChemicalName: Racemic trans-hexahydro-pyrrolo[3,4-b][1,4]oxazine-6-carboxylic acid tert-butyl ester
CasNumber: 138026-93-4
MolecularFormula: C11H20N2O3
MolecularWeight: 228.2881
MdlNumber: MFCD12198673
Smiles: 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:
AA56649
ChemicalName:
Racemic trans-hexahydro-pyrrolo[3,4-b][1,4]oxazine-6-carboxylic acid tert-butyl ester
CasNumber:
138026-93-4
MolecularFormula:
C11H20N2O3
MolecularWeight:
228.2881
MdlNumber:
MFCD12198673
Smiles:
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: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O[C@@H]1CN(C[C@H]1NCc1ccccc1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O[C@@H]1CN(C[C@H]1NCc1ccccc1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CCC(CC(N)C)C.Cl
Complexity: 52.3
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(CC(N)C)C.Cl
Complexity:
52.3
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1Cc1c(C2=O)c(O)c2c(c1C)cccc2O)O)O)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1Cc1c(C2=O)c(O)c2c(c1C)cccc2O)O)O)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__