AA53841
1217447-61-4 | N-Methyl-D-proline monohydrate
Manufacturer: A2B Chem
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CatalogNumber
AA53841
ChemicalName
N-Methyl-D-proline monohydrate
CasNumber
1217447-61-4
MolecularFormula
C6H13NO3
MolecularWeight
147.1723
MdlNumber
MFCD15147029
Smiles
CN1CCC[C@@H]1C(=O)O.O
Complexity
124
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AA53841
ChemicalName: N-Methyl-D-proline monohydrate
CasNumber: 1217447-61-4
MolecularFormula: C6H13NO3
MolecularWeight: 147.1723
MdlNumber: MFCD15147029
Smiles: CN1CCC[C@@H]1C(=O)O.O
Complexity: 124
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AA53841
ChemicalName:
N-Methyl-D-proline monohydrate
CasNumber:
1217447-61-4
MolecularFormula:
C6H13NO3
MolecularWeight:
147.1723
MdlNumber:
MFCD15147029
Smiles:
CN1CCC[C@@H]1C(=O)O.O
Complexity:
124
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: AA53842
ChemicalName: (2R,4S)-4-Amino-1-boc-pyrrolidine-2-carboxylic acid methyl ester-HCl
CasNumber: 1217446-43-9
MolecularFormula: C11H21ClN2O4
MolecularWeight: 280.7484
MdlNumber: MFCD03093495
Smiles: COC(=O)[C@H]1C[C@@H](CN1C(=O)OC(C)(C)C)N.Cl
Complexity: 311
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AA53842
ChemicalName:
(2R,4S)-4-Amino-1-boc-pyrrolidine-2-carboxylic acid methyl ester-HCl
CasNumber:
1217446-43-9
MolecularFormula:
C11H21ClN2O4
MolecularWeight:
280.7484
MdlNumber:
MFCD03093495
Smiles:
COC(=O)[C@H]1C[C@@H](CN1C(=O)OC(C)(C)C)N.Cl
Complexity:
311
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
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Smiles: NC1CCCCC1.[N-]=[N+]=N[C@H](C(=O)O)CCSC
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Smiles:
NC1CCCCC1.[N-]=[N+]=N[C@H](C(=O)O)CCSC
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Smiles: [O-][n+]1nc(Nc2ccccc2)nc2c1cccc2
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Smiles:
[O-][n+]1nc(Nc2ccccc2)nc2c1cccc2
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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