AD57852
240401-27-8 | 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD57852
ChemicalName
2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
CasNumber
240401-27-8
MolecularFormula
C12H21NO3
MolecularWeight
227.3
MdlNumber
MFCD11035887
Smiles
O=C(N1CCC2(CC1)COC2)OC(C)(C)C
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AD57852
ChemicalName: 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
CasNumber: 240401-27-8
MolecularFormula: C12H21NO3
MolecularWeight: 227.3
MdlNumber: MFCD11035887
Smiles: O=C(N1CCC2(CC1)COC2)OC(C)(C)C
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AD57852
ChemicalName:
2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
CasNumber:
240401-27-8
MolecularFormula:
C12H21NO3
MolecularWeight:
227.3
MdlNumber:
MFCD11035887
Smiles:
O=C(N1CCC2(CC1)COC2)OC(C)(C)C
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AD57853
ChemicalName: N-Boc-1-oxa-8-aza-spiro[4.5]decan-3-ol
CasNumber: 240401-09-6
MolecularFormula: C13H23NO4
MolecularWeight: 257.326
MdlNumber: MFCD09749842
Smiles: OC1COC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AD57853
ChemicalName:
N-Boc-1-oxa-8-aza-spiro[4.5]decan-3-ol
CasNumber:
240401-09-6
MolecularFormula:
C13H23NO4
MolecularWeight:
257.326
MdlNumber:
MFCD09749842
Smiles:
OC1COC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AD57856
ChemicalName: 6-Bromo-1,4-benzoxazin-3-one
CasNumber: 24036-52-0
MolecularFormula: C8H6BrNO2
MolecularWeight: 228.0427
MdlNumber: MFCD00461173
Smiles: Brc1cc2NC(=O)COc2cc1
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AD57856
ChemicalName:
6-Bromo-1,4-benzoxazin-3-one
CasNumber:
24036-52-0
MolecularFormula:
C8H6BrNO2
MolecularWeight:
228.0427
MdlNumber:
MFCD00461173
Smiles:
Brc1cc2NC(=O)COc2cc1
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__