AA14610
1160247-05-1 | 1-Oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA14610
ChemicalName
1-Oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid tert-butyl ester
CasNumber
1160247-05-1
MolecularFormula
C13H24N2O3
MolecularWeight
256.3413
MdlNumber
MFCD11227062
Smiles
O=C(N1CCCC2(C1)CNCCO2)OC(C)(C)C
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AA14610
ChemicalName: 1-Oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid tert-butyl ester
CasNumber: 1160247-05-1
MolecularFormula: C13H24N2O3
MolecularWeight: 256.3413
MdlNumber: MFCD11227062
Smiles: O=C(N1CCCC2(C1)CNCCO2)OC(C)(C)C
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AA14610
ChemicalName:
1-Oxa-4,8-diazaspiro[5.5]undecane-8-carboxylic acid tert-butyl ester
CasNumber:
1160247-05-1
MolecularFormula:
C13H24N2O3
MolecularWeight:
256.3413
MdlNumber:
MFCD11227062
Smiles:
O=C(N1CCCC2(C1)CNCCO2)OC(C)(C)C
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: AA14611
ChemicalName: (2-Formyl-pyridin-3-yl)-carbamic acid tert-butyl ester
CasNumber: 116026-99-4
MolecularFormula: C11H14N2O3
MolecularWeight: 222.2405
MdlNumber: MFCD04035594
Smiles: O=Cc1ncccc1NC(=O)OC(C)(C)C
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 1.8
CatalogNumber:
AA14611
ChemicalName:
(2-Formyl-pyridin-3-yl)-carbamic acid tert-butyl ester
CasNumber:
116026-99-4
MolecularFormula:
C11H14N2O3
MolecularWeight:
222.2405
MdlNumber:
MFCD04035594
Smiles:
O=Cc1ncccc1NC(=O)OC(C)(C)C
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.8
CatalogNumber: AA14612
ChemicalName: tert-Butyl 2-bromopyridin-3-ylcarbamate
CasNumber: 116026-98-3
MolecularFormula: C10H13BrN2O2
MolecularWeight: 273.1264
MdlNumber: MFCD07367911
Smiles: O=C(Nc1cccnc1Br)OC(C)(C)C
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
AA14612
ChemicalName:
tert-Butyl 2-bromopyridin-3-ylcarbamate
CasNumber:
116026-98-3
MolecularFormula:
C10H13BrN2O2
MolecularWeight:
273.1264
MdlNumber:
MFCD07367911
Smiles:
O=C(Nc1cccnc1Br)OC(C)(C)C
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccncc1NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccncc1NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__