AI35863
1445950-96-8 | (3aS,6aS)-tert-butyl 3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI35863
ChemicalName
(3aS,6aS)-tert-butyl 3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
CasNumber
1445950-96-8
MolecularFormula
C12H22N2O3
MolecularWeight
242.3147
MdlNumber
MFCD25509364
Smiles
OC[C@@]12CNC[C@H]2CN(C1)C(=O)OC(C)(C)C
Complexity
313
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-0.1
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CatalogNumber: AI35863
ChemicalName: (3aS,6aS)-tert-butyl 3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
CasNumber: 1445950-96-8
MolecularFormula: C12H22N2O3
MolecularWeight: 242.3147
MdlNumber: MFCD25509364
Smiles: OC[C@@]12CNC[C@H]2CN(C1)C(=O)OC(C)(C)C
Complexity: 313
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AI35863
ChemicalName:
(3aS,6aS)-tert-butyl 3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
CasNumber:
1445950-96-8
MolecularFormula:
C12H22N2O3
MolecularWeight:
242.3147
MdlNumber:
MFCD25509364
Smiles:
OC[C@@]12CNC[C@H]2CN(C1)C(=O)OC(C)(C)C
Complexity:
313
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-0.1
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Smiles: COC(=O)[C@@H]1CO[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
COC(=O)[C@@H]1CO[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
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: O=C(N1CC(C(C1C)C(=O)O)C(=O)O)OC(C)(C)C
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
O=C(N1CC(C(C1C)C(=O)O)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: O=C(N1CCc2c(CC1)ccc(n2)Br)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCc2c(CC1)ccc(n2)Br)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__