AB48346
734529-57-8 | (S)-3-Amino-3-(3-nitro-phenyl)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48346
ChemicalName
(S)-3-Amino-3-(3-nitro-phenyl)-propionic acid
CasNumber
734529-57-8
MolecularFormula
C9H10N2O4
MolecularWeight
210.1867
MdlNumber
MFCD04113693
Smiles
OC(=O)C[C@@H](c1cccc(c1)[N+](=O)[O-])N
Complexity
251
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-2.1
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CatalogNumber: AB48346
ChemicalName: (S)-3-Amino-3-(3-nitro-phenyl)-propionic acid
CasNumber: 734529-57-8
MolecularFormula: C9H10N2O4
MolecularWeight: 210.1867
MdlNumber: MFCD04113693
Smiles: OC(=O)C[C@@H](c1cccc(c1)[N+](=O)[O-])N
Complexity: 251
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -2.1
CatalogNumber:
AB48346
ChemicalName:
(S)-3-Amino-3-(3-nitro-phenyl)-propionic acid
CasNumber:
734529-57-8
MolecularFormula:
C9H10N2O4
MolecularWeight:
210.1867
MdlNumber:
MFCD04113693
Smiles:
OC(=O)C[C@@H](c1cccc(c1)[N+](=O)[O-])N
Complexity:
251
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-2.1
CatalogNumber: AB48347
ChemicalName: Fmoc-Nle-OH
CasNumber: 77284-32-3
MolecularFormula: C21H23NO4
MolecularWeight: 353.4116
MdlNumber: MFCD00037537
Smiles: CCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 472
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 4.5
CatalogNumber:
AB48347
ChemicalName:
Fmoc-Nle-OH
CasNumber:
77284-32-3
MolecularFormula:
C21H23NO4
MolecularWeight:
353.4116
MdlNumber:
MFCD00037537
Smiles:
CCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
472
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
4.5
CatalogNumber: AB48348
ChemicalName: Ethyl 5-amino-1H-indole-2-carboxylate
CasNumber: 71086-99-2
MolecularFormula: C11H12N2O2
MolecularWeight: 204.2252
MdlNumber: MFCD08689973
Smiles: CCOC(=O)c1cc2c([nH]1)ccc(c2)N
Complexity: 245
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AB48348
ChemicalName:
Ethyl 5-amino-1H-indole-2-carboxylate
CasNumber:
71086-99-2
MolecularFormula:
C11H12N2O2
MolecularWeight:
204.2252
MdlNumber:
MFCD08689973
Smiles:
CCOC(=O)c1cc2c([nH]1)ccc(c2)N
Complexity:
245
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)N1C=CCC=C1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)N1C=CCC=C1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__