AA48971
13650-49-2 | H-Orn(Boc)-OH
Manufacturer: A2B Chem
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CatalogNumber
AA48971
ChemicalName
H-Orn(Boc)-OH
CasNumber
13650-49-2
MolecularFormula
C10H20N2O4
MolecularWeight
232.2768
MdlNumber
MFCD00150499
Smiles
N[C@H](C(=O)O)CCCNC(=O)OC(C)(C)C
Complexity
248
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
7
Xlogp3
-2.3
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CatalogNumber: AA48971
ChemicalName: H-Orn(Boc)-OH
CasNumber: 13650-49-2
MolecularFormula: C10H20N2O4
MolecularWeight: 232.2768
MdlNumber: MFCD00150499
Smiles: N[C@H](C(=O)O)CCCNC(=O)OC(C)(C)C
Complexity: 248
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 7
Xlogp3: -2.3
CatalogNumber:
AA48971
ChemicalName:
H-Orn(Boc)-OH
CasNumber:
13650-49-2
MolecularFormula:
C10H20N2O4
MolecularWeight:
232.2768
MdlNumber:
MFCD00150499
Smiles:
N[C@H](C(=O)O)CCCNC(=O)OC(C)(C)C
Complexity:
248
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
7
Xlogp3:
-2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N=C(NS(=O)(=O)c1ccc(cc1)C)NCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N=C(NS(=O)(=O)c1ccc(cc1)C)NCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=CCCC(C)(C1CO1)O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=CCCC(C)(C1CO1)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1cccc(c1)c1ccc(c(c1)F)C
Complexity: 276
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1cccc(c1)c1ccc(c(c1)F)C
Complexity:
276
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7