AB48171
77215-55-5 | (S)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB48171
ChemicalName
(S)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester
CasNumber
77215-55-5
MolecularFormula
C15H22N2O4
MolecularWeight
294.3462
MdlNumber
MFCD09991588
Smiles
NC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Complexity
346
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
1.4
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CatalogNumber: AB48171
ChemicalName: (S)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester
CasNumber: 77215-55-5
MolecularFormula: C15H22N2O4
MolecularWeight: 294.3462
MdlNumber: MFCD09991588
Smiles: NC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Complexity: 346
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 1.4
CatalogNumber:
AB48171
ChemicalName:
(S)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester
CasNumber:
77215-55-5
MolecularFormula:
C15H22N2O4
MolecularWeight:
294.3462
MdlNumber:
MFCD09991588
Smiles:
NC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Complexity:
346
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
1.4
CatalogNumber: AB48172
ChemicalName: Isopropylboronic acid
CasNumber: 80041-89-0
MolecularFormula: C3H9BO2
MolecularWeight: 87.9134
MdlNumber: MFCD01319021
Smiles: OB(C(C)C)O
Complexity: 35.8
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB48172
ChemicalName:
Isopropylboronic acid
CasNumber:
80041-89-0
MolecularFormula:
C3H9BO2
MolecularWeight:
87.9134
MdlNumber:
MFCD01319021
Smiles:
OB(C(C)C)O
Complexity:
35.8
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB48173
ChemicalName: 2-Chloro-5-iodo-4-pyridinamine
CasNumber: 800402-12-4
MolecularFormula: C5H4ClIN2
MolecularWeight: 254.4561
MdlNumber: MFCD09834661
Smiles: Clc1ncc(c(c1)N)I
Complexity: 101
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AB48173
ChemicalName:
2-Chloro-5-iodo-4-pyridinamine
CasNumber:
800402-12-4
MolecularFormula:
C5H4ClIN2
MolecularWeight:
254.4561
MdlNumber:
MFCD09834661
Smiles:
Clc1ncc(c(c1)N)I
Complexity:
101
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: AB48174
ChemicalName: 4-Bromo-3-methylbenzaldehyde
CasNumber: 78775-11-8
MolecularFormula: C8H7BrO
MolecularWeight: 199.0446
MdlNumber: MFCD07787170
Smiles: O=Cc1ccc(c(c1)C)Br
Complexity: 124
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB48174
ChemicalName:
4-Bromo-3-methylbenzaldehyde
CasNumber:
78775-11-8
MolecularFormula:
C8H7BrO
MolecularWeight:
199.0446
MdlNumber:
MFCD07787170
Smiles:
O=Cc1ccc(c(c1)C)Br
Complexity:
124
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.1