AB57953
889949-18-2 | tert-Butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB57953
ChemicalName
tert-Butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CasNumber
889949-18-2
MolecularFormula
C10H20N2O3
MolecularWeight
216.2774
MdlNumber
MFCD04115530
Smiles
OCC1(N)CCN(C1)C(=O)OC(C)(C)C
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.5
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CatalogNumber: AB57953
ChemicalName: tert-Butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CasNumber: 889949-18-2
MolecularFormula: C10H20N2O3
MolecularWeight: 216.2774
MdlNumber: MFCD04115530
Smiles: OCC1(N)CCN(C1)C(=O)OC(C)(C)C
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.5
CatalogNumber:
AB57953
ChemicalName:
tert-Butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CasNumber:
889949-18-2
MolecularFormula:
C10H20N2O3
MolecularWeight:
216.2774
MdlNumber:
MFCD04115530
Smiles:
OCC1(N)CCN(C1)C(=O)OC(C)(C)C
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.5
CatalogNumber: AB57954
ChemicalName: 1-Boc-3-bromo-5-nitro-1h-indazole
CasNumber: 473416-22-7
MolecularFormula: C12H12BrN3O4
MolecularWeight: 342.1454
MdlNumber: MFCD11617131
Smiles: [O-][N+](=O)c1ccc2c(c1)c(Br)nn2C(=O)OC(C)(C)C
Complexity: 407
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
CatalogNumber:
AB57954
ChemicalName:
1-Boc-3-bromo-5-nitro-1h-indazole
CasNumber:
473416-22-7
MolecularFormula:
C12H12BrN3O4
MolecularWeight:
342.1454
MdlNumber:
MFCD11617131
Smiles:
[O-][N+](=O)c1ccc2c(c1)c(Br)nn2C(=O)OC(C)(C)C
Complexity:
407
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7
CatalogNumber: AB57955
ChemicalName: tert-Butyl 3-bromo-1h-pyrrolo[2,3-b]pyridine-1-carboxylate
CasNumber: 226085-17-2
MolecularFormula: C12H13BrN2O2
MolecularWeight: 297.1478
MdlNumber: MFCD08689737
Smiles: Brc1cn(c2c1cccn2)C(=O)OC(C)(C)C
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 3.2
CatalogNumber:
AB57955
ChemicalName:
tert-Butyl 3-bromo-1h-pyrrolo[2,3-b]pyridine-1-carboxylate
CasNumber:
226085-17-2
MolecularFormula:
C12H13BrN2O2
MolecularWeight:
297.1478
MdlNumber:
MFCD08689737
Smiles:
Brc1cn(c2c1cccn2)C(=O)OC(C)(C)C
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.2
CatalogNumber: AB57956
ChemicalName: 1-Boc-3-bromoindole
CasNumber: 143259-56-7
MolecularFormula: C13H14BrNO2
MolecularWeight: 296.1598
MdlNumber: MFCD05864772
Smiles: Brc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 4
CatalogNumber:
AB57956
ChemicalName:
1-Boc-3-bromoindole
CasNumber:
143259-56-7
MolecularFormula:
C13H14BrNO2
MolecularWeight:
296.1598
MdlNumber:
MFCD05864772
Smiles:
Brc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
4