AE10887
1187932-75-7 | (S)-tert-Butyl 3-(chloromethyl)pyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE10887
ChemicalName
(S)-tert-Butyl 3-(chloromethyl)pyrrolidine-1-carboxylate
CasNumber
1187932-75-7
MolecularFormula
C10H18ClNO2
MolecularWeight
219.7084
MdlNumber
MFCD08059336
Smiles
ClC[C@H]1CCN(C1)C(=O)OC(C)(C)C
Complexity
213
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AE10887
ChemicalName: (S)-tert-Butyl 3-(chloromethyl)pyrrolidine-1-carboxylate
CasNumber: 1187932-75-7
MolecularFormula: C10H18ClNO2
MolecularWeight: 219.7084
MdlNumber: MFCD08059336
Smiles: ClC[C@H]1CCN(C1)C(=O)OC(C)(C)C
Complexity: 213
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AE10887
ChemicalName:
(S)-tert-Butyl 3-(chloromethyl)pyrrolidine-1-carboxylate
CasNumber:
1187932-75-7
MolecularFormula:
C10H18ClNO2
MolecularWeight:
219.7084
MdlNumber:
MFCD08059336
Smiles:
ClC[C@H]1CCN(C1)C(=O)OC(C)(C)C
Complexity:
213
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(C)C)Cc1ccc(cc1)OS(=O)(=O)O)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccccc1)CCC(=O)O)CCC(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(C)C)Cc1ccc(cc1)OS(=O)(=O)O)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccccc1)CCC(=O)O)CCC(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([C@@H]1CNC[C@H]1C(=O)O)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([C@@H]1CNC[C@H]1C(=O)O)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(F)(F)F.NC(=O)CC(C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(F)(F)F.NC(=O)CC(C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__