AI16228
1250999-99-5 | 4-(tert-Butoxycarbonyl)-5,6-dihydro-4h-thieno[3,2-b]pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI16228
ChemicalName
4-(tert-Butoxycarbonyl)-5,6-dihydro-4h-thieno[3,2-b]pyrrole-2-carboxylic acid
CasNumber
1250999-99-5
MolecularFormula
C12H15NO4S
MolecularWeight
269.3168
MdlNumber
MFCD14581111
Smiles
O=C(N1CCc2c1cc(s2)C(=O)O)OC(C)(C)C
Complexity
366
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AI16228
ChemicalName: 4-(tert-Butoxycarbonyl)-5,6-dihydro-4h-thieno[3,2-b]pyrrole-2-carboxylic acid
CasNumber: 1250999-99-5
MolecularFormula: C12H15NO4S
MolecularWeight: 269.3168
MdlNumber: MFCD14581111
Smiles: O=C(N1CCc2c1cc(s2)C(=O)O)OC(C)(C)C
Complexity: 366
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AI16228
ChemicalName:
4-(tert-Butoxycarbonyl)-5,6-dihydro-4h-thieno[3,2-b]pyrrole-2-carboxylic acid
CasNumber:
1250999-99-5
MolecularFormula:
C12H15NO4S
MolecularWeight:
269.3168
MdlNumber:
MFCD14581111
Smiles:
O=C(N1CCc2c1cc(s2)C(=O)O)OC(C)(C)C
Complexity:
366
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC1COC2(C1)COCCN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC1COC2(C1)COCCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI16231
ChemicalName: 6-Oxa-9-aza-spiro[4.5]decane-2,9-dicarboxylic acid 9-tert-butyl ester
CasNumber: 1251000-13-1
MolecularFormula: C14H23NO5
MolecularWeight: 285.3361
MdlNumber: MFCD17016263
Smiles: OC(=O)C1CCC2(C1)OCCN(C2)C(=O)OC(C)(C)C
Complexity: 403
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AI16231
ChemicalName:
6-Oxa-9-aza-spiro[4.5]decane-2,9-dicarboxylic acid 9-tert-butyl ester
CasNumber:
1251000-13-1
MolecularFormula:
C14H23NO5
MolecularWeight:
285.3361
MdlNumber:
MFCD17016263
Smiles:
OC(=O)C1CCC2(C1)OCCN(C2)C(=O)OC(C)(C)C
Complexity:
403
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: AI16232
ChemicalName: tert-Butyl 3'-bromo-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[1,2-a]imidazole]-1-carboxylate
CasNumber: 1251000-16-4
MolecularFormula: C15H22BrN3O2
MolecularWeight: 356.2581
MdlNumber: MFCD14581089
Smiles: O=C(N1CCC2(CC1)CCn1c2ncc1Br)OC(C)(C)C
Complexity: 416
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI16232
ChemicalName:
tert-Butyl 3'-bromo-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[1,2-a]imidazole]-1-carboxylate
CasNumber:
1251000-16-4
MolecularFormula:
C15H22BrN3O2
MolecularWeight:
356.2581
MdlNumber:
MFCD14581089
Smiles:
O=C(N1CCC2(CC1)CCn1c2ncc1Br)OC(C)(C)C
Complexity:
416
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.6