AE81914
185526-32-3 | 1'-(tert-Butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE81914
ChemicalName
1'-(tert-Butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid
CasNumber
185526-32-3
MolecularFormula
C19H25NO4
MolecularWeight
331.4061
MdlNumber
MFCD08461259
Smiles
OC(=O)C1CC2(c3c1cccc3)CCN(CC2)C(=O)OC(C)(C)C
Complexity
502
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3
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CatalogNumber: AE81914
ChemicalName: 1'-(tert-Butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid
CasNumber: 185526-32-3
MolecularFormula: C19H25NO4
MolecularWeight: 331.4061
MdlNumber: MFCD08461259
Smiles: OC(=O)C1CC2(c3c1cccc3)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 502
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3
CatalogNumber:
AE81914
ChemicalName:
1'-(tert-Butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid
CasNumber:
185526-32-3
MolecularFormula:
C19H25NO4
MolecularWeight:
331.4061
MdlNumber:
MFCD08461259
Smiles:
OC(=O)C1CC2(c3c1cccc3)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
502
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity: 380
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
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__
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MolecularFormula:
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Smiles:
O[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity:
380
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6
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Smiles: Brc1cnc2c(c1)CCc1c([C@H]2C2CCNCC2)c(Br)cc(c1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
Brc1cnc2c(c1)CCc1c([C@H]2C2CCNCC2)c(Br)cc(c1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C.[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__