AV18230
112159-16-7 | 2-([(tert-Butoxy)carbonyl]amino)-5-methoxy-5-oxopentanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18230
ChemicalName
2-([(tert-Butoxy)carbonyl]amino)-5-methoxy-5-oxopentanoic acid
CasNumber
112159-16-7
MolecularFormula
C11H19NO6
MolecularWeight
261.2717
MdlNumber
MFCD03940182
Smiles
COC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AV18230
ChemicalName: 2-([(tert-Butoxy)carbonyl]amino)-5-methoxy-5-oxopentanoic acid
CasNumber: 112159-16-7
MolecularFormula: C11H19NO6
MolecularWeight: 261.2717
MdlNumber: MFCD03940182
Smiles: COC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AV18230
ChemicalName:
2-([(tert-Butoxy)carbonyl]amino)-5-methoxy-5-oxopentanoic acid
CasNumber:
112159-16-7
MolecularFormula:
C11H19NO6
MolecularWeight:
261.2717
MdlNumber:
MFCD03940182
Smiles:
COC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: AV18231
ChemicalName: 2-Bromo-N-(4,5-dimethylisoxazol-3-yl)-N-(methoxymethyl)benzenesulfonamide
CasNumber: 415697-57-3
MolecularFormula: C13H15BrN2O4S
MolecularWeight: 375.2382
MdlNumber: MFCD30185863
Smiles: COCN(S(=O)(=O)c1ccccc1Br)c1noc(c1C)C
Complexity: 442
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 2.8
CatalogNumber:
AV18231
ChemicalName:
2-Bromo-N-(4,5-dimethylisoxazol-3-yl)-N-(methoxymethyl)benzenesulfonamide
CasNumber:
415697-57-3
MolecularFormula:
C13H15BrN2O4S
MolecularWeight:
375.2382
MdlNumber:
MFCD30185863
Smiles:
COCN(S(=O)(=O)c1ccccc1Br)c1noc(c1C)C
Complexity:
442
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.8
CatalogNumber: AV18232
ChemicalName: (4-(2H-1,2,3-Triazol-2-yl)phenyl)methanol
CasNumber: 449211-78-3
MolecularFormula: C9H9N3O
MolecularWeight: 175.1873
MdlNumber: MFCD30185865
Smiles: OCc1ccc(cc1)n1nccn1
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1
CatalogNumber:
AV18232
ChemicalName:
(4-(2H-1,2,3-Triazol-2-yl)phenyl)methanol
CasNumber:
449211-78-3
MolecularFormula:
C9H9N3O
MolecularWeight:
175.1873
MdlNumber:
MFCD30185865
Smiles:
OCc1ccc(cc1)n1nccn1
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NN=C2C(C1)CCCc1c2cccc1
Complexity: 324
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NN=C2C(C1)CCCc1c2cccc1
Complexity:
324
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9