AA11672
159002-17-2 | N-Alpha-boc-(+/-)-2,3-diaminopropionic acid
Manufacturer: A2B Chem
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CatalogNumber
AA11672
ChemicalName
N-Alpha-boc-(+/-)-2,3-diaminopropionic acid
CasNumber
159002-17-2
MolecularFormula
C8H16N2O4
MolecularWeight
204.2236
MdlNumber
MFCD00736752
Smiles
NCC(C(=O)O)NC(=O)OC(C)(C)C
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
-2.7
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CatalogNumber: AA11672
ChemicalName: N-Alpha-boc-(+/-)-2,3-diaminopropionic acid
CasNumber: 159002-17-2
MolecularFormula: C8H16N2O4
MolecularWeight: 204.2236
MdlNumber: MFCD00736752
Smiles: NCC(C(=O)O)NC(=O)OC(C)(C)C
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: -2.7
CatalogNumber:
AA11672
ChemicalName:
N-Alpha-boc-(+/-)-2,3-diaminopropionic acid
CasNumber:
159002-17-2
MolecularFormula:
C8H16N2O4
MolecularWeight:
204.2236
MdlNumber:
MFCD00736752
Smiles:
NCC(C(=O)O)NC(=O)OC(C)(C)C
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
-2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H](C2=C[C@H](CC[C@]12C)O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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Smiles:
CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H](C2=C[C@H](CC[C@]12C)O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: OC(=O)[C@H](Cc1c[nH]c2c1cc(OCc1ccccc1)cc2)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)[C@H](Cc1c[nH]c2c1cc(OCc1ccccc1)cc2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)N)c1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)N)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__