AB42911
501015-21-0 | Boc-(R)-3-amino-3-(3-cyano-phenyl)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB42911
ChemicalName
Boc-(R)-3-amino-3-(3-cyano-phenyl)-propionic acid
CasNumber
501015-21-0
MolecularFormula
C15H18N2O4
MolecularWeight
290.3144
MdlNumber
MFCD03427967
Smiles
N#Cc1cccc(c1)[C@H](NC(=O)OC(C)(C)C)CC(=O)O
Complexity
433
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
1.7
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CatalogNumber: AB42911
ChemicalName: Boc-(R)-3-amino-3-(3-cyano-phenyl)-propionic acid
CasNumber: 501015-21-0
MolecularFormula: C15H18N2O4
MolecularWeight: 290.3144
MdlNumber: MFCD03427967
Smiles: N#Cc1cccc(c1)[C@H](NC(=O)OC(C)(C)C)CC(=O)O
Complexity: 433
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 1.7
CatalogNumber:
AB42911
ChemicalName:
Boc-(R)-3-amino-3-(3-cyano-phenyl)-propionic acid
CasNumber:
501015-21-0
MolecularFormula:
C15H18N2O4
MolecularWeight:
290.3144
MdlNumber:
MFCD03427967
Smiles:
N#Cc1cccc(c1)[C@H](NC(=O)OC(C)(C)C)CC(=O)O
Complexity:
433
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
1.7
CatalogNumber: AB42912
ChemicalName: D-(+)-Malic acid
CasNumber: 636-61-3
MolecularFormula: C4H6O5
MolecularWeight: 134.0874
MdlNumber: MFCD00004245
Smiles: OC(=O)C[C@H](C(=O)O)O
Complexity: 129
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -1.3
CatalogNumber:
AB42912
ChemicalName:
D-(+)-Malic acid
CasNumber:
636-61-3
MolecularFormula:
C4H6O5
MolecularWeight:
134.0874
MdlNumber:
MFCD00004245
Smiles:
OC(=O)C[C@H](C(=O)O)O
Complexity:
129
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-1.3
CatalogNumber: AB42913
ChemicalName: (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid methyl ester
CasNumber: 52373-72-5
MolecularFormula: C7H12O4
MolecularWeight: 160.1678
MdlNumber: MFCD00066527
Smiles: COC(=O)[C@H]1COC(O1)(C)C
Complexity: 164
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AB42913
ChemicalName:
(R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid methyl ester
CasNumber:
52373-72-5
MolecularFormula:
C7H12O4
MolecularWeight:
160.1678
MdlNumber:
MFCD00066527
Smiles:
COC(=O)[C@H]1COC(O1)(C)C
Complexity:
164
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C[C@H]1COC(N1C(=O)OC(C)(C)C)(C)C
Complexity: 293
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C[C@H]1COC(N1C(=O)OC(C)(C)C)(C)C
Complexity:
293
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1