AD53902
281666-43-1 | (2S,4S)-4-Amino-1-((benzyloxy)carbonyl)pyrrolidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD53902
ChemicalName
(2S,4S)-4-Amino-1-((benzyloxy)carbonyl)pyrrolidine-2-carboxylic acid
CasNumber
281666-43-1
MolecularFormula
C13H16N2O4
MolecularWeight
264.2771
MdlNumber
MFCD08704527
Smiles
N[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)O
Complexity
342
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
-1.8
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CatalogNumber: AD53902
ChemicalName: (2S,4S)-4-Amino-1-((benzyloxy)carbonyl)pyrrolidine-2-carboxylic acid
CasNumber: 281666-43-1
MolecularFormula: C13H16N2O4
MolecularWeight: 264.2771
MdlNumber: MFCD08704527
Smiles: N[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)O
Complexity: 342
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -1.8
CatalogNumber:
AD53902
ChemicalName:
(2S,4S)-4-Amino-1-((benzyloxy)carbonyl)pyrrolidine-2-carboxylic acid
CasNumber:
281666-43-1
MolecularFormula:
C13H16N2O4
MolecularWeight:
264.2771
MdlNumber:
MFCD08704527
Smiles:
N[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)O
Complexity:
342
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-1.8
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Smiles: CCCC(=NOCC(Oc1ccc(cc1)Cl)C)C1=C([O-])CC(CC1=O)C1CCCSC1.[Li+]
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Smiles:
CCCC(=NOCC(Oc1ccc(cc1)Cl)C)C1=C([O-])CC(CC1=O)C1CCCSC1.[Li+]
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__
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Smiles: N#Cc1c(Cl)ccc(c1O)Cl
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Smiles:
N#Cc1c(Cl)ccc(c1O)Cl
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Smiles: OC(=O)c1cc(ccc1C)C(C)(C)C
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Smiles:
OC(=O)c1cc(ccc1C)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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