AB56188
104612-35-3 | (S)-3-Hydroxy-1-methylpyrrolidine-2,5-dione
Manufacturer: A2B Chem
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CatalogNumber
AB56188
ChemicalName
(S)-3-Hydroxy-1-methylpyrrolidine-2,5-dione
CasNumber
104612-35-3
MolecularFormula
C5H7NO3
MolecularWeight
129.114
MdlNumber
MFCD00221501
Smiles
O[C@H]1CC(=O)N(C1=O)C
Complexity
166
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
Xlogp3
-1.4
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CatalogNumber: AB56188
ChemicalName: (S)-3-Hydroxy-1-methylpyrrolidine-2,5-dione
CasNumber: 104612-35-3
MolecularFormula: C5H7NO3
MolecularWeight: 129.114
MdlNumber: MFCD00221501
Smiles: O[C@H]1CC(=O)N(C1=O)C
Complexity: 166
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: -1.4
CatalogNumber:
AB56188
ChemicalName:
(S)-3-Hydroxy-1-methylpyrrolidine-2,5-dione
CasNumber:
104612-35-3
MolecularFormula:
C5H7NO3
MolecularWeight:
129.114
MdlNumber:
MFCD00221501
Smiles:
O[C@H]1CC(=O)N(C1=O)C
Complexity:
166
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
-1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN([C@H]([C]12=[CH]3[CH]4=[CH]5[C-]1(P(c1ccccc1)c1ccccc1)[Fe+2]16782345[CH-]2[CH]1=[CH]7[CH]8=[CH]62)C)P(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN([C@H]([C]12=[CH]3[CH]4=[CH]5[C-]1(P(c1ccccc1)c1ccccc1)[Fe+2]16782345[CH-]2[CH]1=[CH]7[CH]8=[CH]62)C)P(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1COCN1
Complexity: 104
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: -3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1COCN1
Complexity:
104
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
-3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__