AG31905
477293-60-0 | (2S,4S)-tert-Butyl 4-hydroxy-2-methylpyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG31905
ChemicalName
(2S,4S)-tert-Butyl 4-hydroxy-2-methylpyrrolidine-1-carboxylate
CasNumber
477293-60-0
MolecularFormula
C10H19NO3
MolecularWeight
201.2628
MdlNumber
MFCD20278358
Smiles
C[C@H]1C[C@@H](CN1C(=O)OC(C)(C)C)O
Complexity
222
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AG31905
ChemicalName: (2S,4S)-tert-Butyl 4-hydroxy-2-methylpyrrolidine-1-carboxylate
CasNumber: 477293-60-0
MolecularFormula: C10H19NO3
MolecularWeight: 201.2628
MdlNumber: MFCD20278358
Smiles: C[C@H]1C[C@@H](CN1C(=O)OC(C)(C)C)O
Complexity: 222
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AG31905
ChemicalName:
(2S,4S)-tert-Butyl 4-hydroxy-2-methylpyrrolidine-1-carboxylate
CasNumber:
477293-60-0
MolecularFormula:
C10H19NO3
MolecularWeight:
201.2628
MdlNumber:
MFCD20278358
Smiles:
C[C@H]1C[C@@H](CN1C(=O)OC(C)(C)C)O
Complexity:
222
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
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Smiles: O=C(OC(C)(C)C)N[C@@H]1CCNC[C@@H]1C
Complexity: __
Covalently-bondedUnitCount: __
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Smiles:
O=C(OC(C)(C)C)N[C@@H]1CCNC[C@@H]1C
Complexity:
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__
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HeavyAtomCount:
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Smiles: CCOC(=O)Cc1cc(OC)c(cc1[N+](=O)[O-])OC
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Smiles:
CCOC(=O)Cc1cc(OC)c(cc1[N+](=O)[O-])OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)Cc1ccc(cc1)C(=N)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1ccc(cc1)C(=N)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__