AE01409
796096-64-5 | (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AE01409
ChemicalName
(S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester
CasNumber
796096-64-5
MolecularFormula
C11H20N2O4
MolecularWeight
244.2875
MdlNumber
MFCD04115328
Smiles
COC(=O)[C@@H]1CNCCN1C(=O)OC(C)(C)C
Complexity
298
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.4
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CatalogNumber: AE01409
ChemicalName: (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester
CasNumber: 796096-64-5
MolecularFormula: C11H20N2O4
MolecularWeight: 244.2875
MdlNumber: MFCD04115328
Smiles: COC(=O)[C@@H]1CNCCN1C(=O)OC(C)(C)C
Complexity: 298
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.4
CatalogNumber:
AE01409
ChemicalName:
(S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester
CasNumber:
796096-64-5
MolecularFormula:
C11H20N2O4
MolecularWeight:
244.2875
MdlNumber:
MFCD04115328
Smiles:
COC(=O)[C@@H]1CNCCN1C(=O)OC(C)(C)C
Complexity:
298
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)c1nc(Cl)ccc1C(F)(F)F
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
OC(=O)c1nc(Cl)ccc1C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: NC(=O)c1cc2cc(Br)ccc2oc1=N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1cc2cc(Br)ccc2oc1=N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__