AV18342
1401464-08-1 | 2-((1R,5S,6s)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexan-6-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18342
ChemicalName
2-((1R,5S,6s)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexan-6-yl)acetic acid
CasNumber
1401464-08-1
MolecularFormula
C12H19NO4
MolecularWeight
241.2836
MdlNumber
MFCD12198681
Smiles
O=C(N1C[C@@H]2[C@H](C1)[C@H]2CC(=O)O)OC(C)(C)C
Complexity
335
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AV18342
ChemicalName: 2-((1R,5S,6s)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexan-6-yl)acetic acid
CasNumber: 1401464-08-1
MolecularFormula: C12H19NO4
MolecularWeight: 241.2836
MdlNumber: MFCD12198681
Smiles: O=C(N1C[C@@H]2[C@H](C1)[C@H]2CC(=O)O)OC(C)(C)C
Complexity: 335
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AV18342
ChemicalName:
2-((1R,5S,6s)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexan-6-yl)acetic acid
CasNumber:
1401464-08-1
MolecularFormula:
C12H19NO4
MolecularWeight:
241.2836
MdlNumber:
MFCD12198681
Smiles:
O=C(N1C[C@@H]2[C@H](C1)[C@H]2CC(=O)O)OC(C)(C)C
Complexity:
335
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1CC[C@]2(O1)CCN(C2)C(=O)OC(C)(C)C
Complexity: 325
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1CC[C@]2(O1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
325
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCc1ccccc1
Complexity: 461
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCc1ccccc1
Complexity:
461
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: AV18345
ChemicalName: 4-Hydroxy-5,5-dimethylfuran-2(5H)-one
CasNumber: 22621-30-3
MolecularFormula: C6H8O3
MolecularWeight: 128.1259
MdlNumber: MFCD27947705
Smiles: O=C1C=C(C(O1)(C)C)O
Complexity: 179
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
AV18345
ChemicalName:
4-Hydroxy-5,5-dimethylfuran-2(5H)-one
CasNumber:
22621-30-3
MolecularFormula:
C6H8O3
MolecularWeight:
128.1259
MdlNumber:
MFCD27947705
Smiles:
O=C1C=C(C(O1)(C)C)O
Complexity:
179
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.2