AB49341
31140-42-8 | 3-Boc-amino-2,6-dioxopiperidine
Manufacturer: A2B Chem
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CatalogNumber
AB49341
ChemicalName
3-Boc-amino-2,6-dioxopiperidine
CasNumber
31140-42-8
MolecularFormula
C10H16N2O4
MolecularWeight
228.245
MdlNumber
MFCD08275101
Smiles
O=C1CCC(C(=O)N1)NC(=O)OC(C)(C)C
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.2
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CatalogNumber: AB49341
ChemicalName: 3-Boc-amino-2,6-dioxopiperidine
CasNumber: 31140-42-8
MolecularFormula: C10H16N2O4
MolecularWeight: 228.245
MdlNumber: MFCD08275101
Smiles: O=C1CCC(C(=O)N1)NC(=O)OC(C)(C)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.2
CatalogNumber:
AB49341
ChemicalName:
3-Boc-amino-2,6-dioxopiperidine
CasNumber:
31140-42-8
MolecularFormula:
C10H16N2O4
MolecularWeight:
228.245
MdlNumber:
MFCD08275101
Smiles:
O=C1CCC(C(=O)N1)NC(=O)OC(C)(C)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.2
CatalogNumber: AB49342
ChemicalName: 4-Aminobenzene-1,3-dicarboxylic acid
CasNumber: 33890-03-8
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00102008
Smiles: OC(=O)c1ccc(c(c1)C(=O)O)N
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.5
CatalogNumber:
AB49342
ChemicalName:
4-Aminobenzene-1,3-dicarboxylic acid
CasNumber:
33890-03-8
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00102008
Smiles:
OC(=O)c1ccc(c(c1)C(=O)O)N
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(c2-c(c1)c(C)cc2)C)C
Complexity: 206
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(c2-c(c1)c(C)cc2)C)C
Complexity:
206
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.8
CatalogNumber: AB49344
ChemicalName: 5-Bromobenzene-1,3-diamine
CasNumber: 33786-90-2
MolecularFormula: C6H7BrN2
MolecularWeight: 187.0372
MdlNumber: MFCD09036306
Smiles: Nc1cc(N)cc(c1)Br
Complexity: 87.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
AB49344
ChemicalName:
5-Bromobenzene-1,3-diamine
CasNumber:
33786-90-2
MolecularFormula:
C6H7BrN2
MolecularWeight:
187.0372
MdlNumber:
MFCD09036306
Smiles:
Nc1cc(N)cc(c1)Br
Complexity:
87.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3