AC54781
79839-29-5 | (3S)-Boc-3-amino-1-carboxymethyl-caprolactame
Manufacturer: A2B Chem
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CatalogNumber
AC54781
ChemicalName
(3S)-Boc-3-amino-1-carboxymethyl-caprolactame
CasNumber
79839-29-5
MolecularFormula
C13H22N2O5
MolecularWeight
286.3242
MdlNumber
MFCD00673777
Smiles
OC(=O)CN1CCCC[C@@H](C1=O)NC(=O)OC(C)(C)C
Complexity
389
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
0.9
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CatalogNumber: AC54781
ChemicalName: (3S)-Boc-3-amino-1-carboxymethyl-caprolactame
CasNumber: 79839-29-5
MolecularFormula: C13H22N2O5
MolecularWeight: 286.3242
MdlNumber: MFCD00673777
Smiles: OC(=O)CN1CCCC[C@@H](C1=O)NC(=O)OC(C)(C)C
Complexity: 389
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.9
CatalogNumber:
AC54781
ChemicalName:
(3S)-Boc-3-amino-1-carboxymethyl-caprolactame
CasNumber:
79839-29-5
MolecularFormula:
C13H22N2O5
MolecularWeight:
286.3242
MdlNumber:
MFCD00673777
Smiles:
OC(=O)CN1CCCC[C@@H](C1=O)NC(=O)OC(C)(C)C
Complexity:
389
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.9
CatalogNumber: AC54785
ChemicalName: Ethyl 2-methylthiazole-5-carboxylate
CasNumber: 79836-78-5
MolecularFormula: C7H9NO2S
MolecularWeight: 171.21686
MdlNumber: MFCD03840442
Smiles: CCOC(=O)c1cnc(s1)C
Complexity: 151
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AC54785
ChemicalName:
Ethyl 2-methylthiazole-5-carboxylate
CasNumber:
79836-78-5
MolecularFormula:
C7H9NO2S
MolecularWeight:
171.21686
MdlNumber:
MFCD03840442
Smiles:
CCOC(=O)c1cnc(s1)C
Complexity:
151
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)O)S(=O)(=O)[O-].[NH4+].[NH4+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)O)S(=O)(=O)[O-].[NH4+].[NH4+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(c1ccccc1Br)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(c1ccccc1Br)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__