AB42979
222714-37-6 | (S)-Methyl 4-(1-aminoethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB42979
ChemicalName
(S)-Methyl 4-(1-aminoethyl)benzoate
CasNumber
222714-37-6
MolecularFormula
C10H13NO2
MolecularWeight
179.2157
MdlNumber
MFCD06762070
Smiles
COC(=O)c1ccc(cc1)[C@@H](N)C
Complexity
174
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AB42979
ChemicalName: (S)-Methyl 4-(1-aminoethyl)benzoate
CasNumber: 222714-37-6
MolecularFormula: C10H13NO2
MolecularWeight: 179.2157
MdlNumber: MFCD06762070
Smiles: COC(=O)c1ccc(cc1)[C@@H](N)C
Complexity: 174
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AB42979
ChemicalName:
(S)-Methyl 4-(1-aminoethyl)benzoate
CasNumber:
222714-37-6
MolecularFormula:
C10H13NO2
MolecularWeight:
179.2157
MdlNumber:
MFCD06762070
Smiles:
COC(=O)c1ccc(cc1)[C@@H](N)C
Complexity:
174
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: AB42980
ChemicalName: (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride
CasNumber: 898543-06-1
MolecularFormula: C14H18ClN3O4
MolecularWeight: 327.7634
MdlNumber: MFCD20133901
Smiles: NC[C@@H]1OC(=O)N(C1)c1ccc(cc1)N1CCOCC1=O.Cl
Complexity: 409
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB42980
ChemicalName:
(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride
CasNumber:
898543-06-1
MolecularFormula:
C14H18ClN3O4
MolecularWeight:
327.7634
MdlNumber:
MFCD20133901
Smiles:
NC[C@@H]1OC(=O)N(C1)c1ccc(cc1)N1CCOCC1=O.Cl
Complexity:
409
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC[C@@H](N1)Cc1ccccc1
Complexity: 187
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC[C@@H](N1)Cc1ccccc1
Complexity:
187
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: AB42982
ChemicalName: (S)-4-Hydroxy-2-pyrrolidinone
CasNumber: 68108-18-9
MolecularFormula: C4H7NO2
MolecularWeight: 101.1039
MdlNumber: MFCD00273370
Smiles: O[C@H]1CC(=O)NC1
Complexity: 91.7
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: -1.4
CatalogNumber:
AB42982
ChemicalName:
(S)-4-Hydroxy-2-pyrrolidinone
CasNumber:
68108-18-9
MolecularFormula:
C4H7NO2
MolecularWeight:
101.1039
MdlNumber:
MFCD00273370
Smiles:
O[C@H]1CC(=O)NC1
Complexity:
91.7
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
-1.4