AA81632
159532-59-9 | (S)-1-Boc-Piperazine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA81632
ChemicalName
(S)-1-Boc-Piperazine-2-carboxylic acid
CasNumber
159532-59-9
MolecularFormula
C10H18N2O4
MolecularWeight
230.2609
MdlNumber
MFCD02179105
Smiles
O=C([C@H]1N(C(OC(C)(C)C)=O)CCNC1)O
Complexity
285
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-2.2
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CatalogNumber: AA81632
ChemicalName: (S)-1-Boc-Piperazine-2-carboxylic acid
CasNumber: 159532-59-9
MolecularFormula: C10H18N2O4
MolecularWeight: 230.2609
MdlNumber: MFCD02179105
Smiles: O=C([C@H]1N(C(OC(C)(C)C)=O)CCNC1)O
Complexity: 285
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -2.2
CatalogNumber:
AA81632
ChemicalName:
(S)-1-Boc-Piperazine-2-carboxylic acid
CasNumber:
159532-59-9
MolecularFormula:
C10H18N2O4
MolecularWeight:
230.2609
MdlNumber:
MFCD02179105
Smiles:
O=C([C@H]1N(C(OC(C)(C)C)=O)CCNC1)O
Complexity:
285
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-2.2
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Smiles: CC1=Cc2c(C1)cccc2c1ccccc1
Complexity: __
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Smiles:
CC1=Cc2c(C1)cccc2c1ccccc1
Complexity:
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Smiles: OC(=O)c1cc(ccc1N)N1CCCC1
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Smiles:
OC(=O)c1cc(ccc1N)N1CCCC1
Complexity:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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Smiles: ClC1CS(=O)(=O)C1
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC1CS(=O)(=O)C1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__