AF00710
161891-81-2 | (S)-3-((Benzyloxy)carbonyl)-2,2-dimethyloxazolidine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF00710
ChemicalName
(S)-3-((Benzyloxy)carbonyl)-2,2-dimethyloxazolidine-4-carboxylic acid
CasNumber
161891-81-2
MolecularFormula
C14H17NO5
MolecularWeight
279.2885
MdlNumber
MFCD11036176
Smiles
O=C(N1[C@@H](COC1(C)C)C(=O)O)OCc1ccccc1
Complexity
376
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.6
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CatalogNumber: AF00710
ChemicalName: (S)-3-((Benzyloxy)carbonyl)-2,2-dimethyloxazolidine-4-carboxylic acid
CasNumber: 161891-81-2
MolecularFormula: C14H17NO5
MolecularWeight: 279.2885
MdlNumber: MFCD11036176
Smiles: O=C(N1[C@@H](COC1(C)C)C(=O)O)OCc1ccccc1
Complexity: 376
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AF00710
ChemicalName:
(S)-3-((Benzyloxy)carbonyl)-2,2-dimethyloxazolidine-4-carboxylic acid
CasNumber:
161891-81-2
MolecularFormula:
C14H17NO5
MolecularWeight:
279.2885
MdlNumber:
MFCD11036176
Smiles:
O=C(N1[C@@H](COC1(C)C)C(=O)O)OCc1ccccc1
Complexity:
376
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.6
CatalogNumber: AF00712
ChemicalName: 4-(4-Benzyloxyphenyl)-3-methoxybenzoic acid
CasNumber: 167627-34-1
MolecularFormula: C21H18O4
MolecularWeight: 334.3652
MdlNumber: MFCD18322905
Smiles: COc1cc(ccc1c1ccc(cc1)OCc1ccccc1)C(=O)O
Complexity: 410
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 4.5
CatalogNumber:
AF00712
ChemicalName:
4-(4-Benzyloxyphenyl)-3-methoxybenzoic acid
CasNumber:
167627-34-1
MolecularFormula:
C21H18O4
MolecularWeight:
334.3652
MdlNumber:
MFCD18322905
Smiles:
COc1cc(ccc1c1ccc(cc1)OCc1ccccc1)C(=O)O
Complexity:
410
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)CNC(=O)c1ncccc1C(=O)NCc1ccc(cc1)OC
Complexity: 543
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)CNC(=O)c1ncccc1C(=O)NCc1ccc(cc1)OC
Complexity:
543
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AF00715
ChemicalName: N-BOC-3,4-Dihydro-2(1H)-quinolinone
CasNumber: 194979-77-6
MolecularFormula: C14H17NO3
MolecularWeight: 247.2897
MdlNumber: MFCD22689123
Smiles: O=C1CCc2c(N1C(=O)OC(C)(C)C)cccc2
Complexity: 345
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AF00715
ChemicalName:
N-BOC-3,4-Dihydro-2(1H)-quinolinone
CasNumber:
194979-77-6
MolecularFormula:
C14H17NO3
MolecularWeight:
247.2897
MdlNumber:
MFCD22689123
Smiles:
O=C1CCc2c(N1C(=O)OC(C)(C)C)cccc2
Complexity:
345
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.4