AE96929
151004-94-3 | (S)-2-Boc-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE96929
ChemicalName
(S)-2-Boc-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
CasNumber
151004-94-3
MolecularFormula
C15H19NO4
MolecularWeight
277.3157
MdlNumber
MFCD15474917
Smiles
O=C(N1CCc2c([C@H]1C(=O)O)cccc2)OC(C)(C)C
Complexity
388
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AE96929
ChemicalName: (S)-2-Boc-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
CasNumber: 151004-94-3
MolecularFormula: C15H19NO4
MolecularWeight: 277.3157
MdlNumber: MFCD15474917
Smiles: O=C(N1CCc2c([C@H]1C(=O)O)cccc2)OC(C)(C)C
Complexity: 388
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AE96929
ChemicalName:
(S)-2-Boc-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
CasNumber:
151004-94-3
MolecularFormula:
C15H19NO4
MolecularWeight:
277.3157
MdlNumber:
MFCD15474917
Smiles:
O=C(N1CCc2c([C@H]1C(=O)O)cccc2)OC(C)(C)C
Complexity:
388
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
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Smiles: CC([C@@H](c1ccccn1)N)C
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Smiles:
CC([C@@H](c1ccccn1)N)C
Complexity:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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Xlogp3:
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Smiles: NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: O=C1CC[C@@H]2N1CCNC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1CC[C@@H]2N1CCNC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__