AI28709
1268520-01-9 | tert-Butyl 3-(hydroxy(oxazol-2-yl)methyl)pyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI28709
ChemicalName
tert-Butyl 3-(hydroxy(oxazol-2-yl)methyl)pyrrolidine-1-carboxylate
CasNumber
1268520-01-9
MolecularFormula
C13H20N2O4
MolecularWeight
268.3089
MdlNumber
MFCD18632971
Smiles
O=C(N1CCC(C1)C(c1ncco1)O)OC(C)(C)C
Complexity
329
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
0.8
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CatalogNumber: AI28709
ChemicalName: tert-Butyl 3-(hydroxy(oxazol-2-yl)methyl)pyrrolidine-1-carboxylate
CasNumber: 1268520-01-9
MolecularFormula: C13H20N2O4
MolecularWeight: 268.3089
MdlNumber: MFCD18632971
Smiles: O=C(N1CCC(C1)C(c1ncco1)O)OC(C)(C)C
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.8
CatalogNumber:
AI28709
ChemicalName:
tert-Butyl 3-(hydroxy(oxazol-2-yl)methyl)pyrrolidine-1-carboxylate
CasNumber:
1268520-01-9
MolecularFormula:
C13H20N2O4
MolecularWeight:
268.3089
MdlNumber:
MFCD18632971
Smiles:
O=C(N1CCC(C1)C(c1ncco1)O)OC(C)(C)C
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.8
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Smiles: CC(=O)N1C[C@@H]2[C@H]1CNCC2
Complexity: __
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Smiles:
CC(=O)N1C[C@@H]2[C@H]1CNCC2
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: OC(=O)C1CCCC2(O1)CCN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C1CCCC2(O1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1COC2(C1)CCCN(CC2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1COC2(C1)CCCN(CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__