AA28573
1245642-79-8 | (S)-tert-Butyl 3-((methylamino)methyl)pyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA28573
ChemicalName
(S)-tert-Butyl 3-((methylamino)methyl)pyrrolidine-1-carboxylate
CasNumber
1245642-79-8
MolecularFormula
C11H22N2O2
MolecularWeight
214.3046
MdlNumber
MFCD11616684
Smiles
CNC[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Complexity
223
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.1
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CatalogNumber: AA28573
ChemicalName: (S)-tert-Butyl 3-((methylamino)methyl)pyrrolidine-1-carboxylate
CasNumber: 1245642-79-8
MolecularFormula: C11H22N2O2
MolecularWeight: 214.3046
MdlNumber: MFCD11616684
Smiles: CNC[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Complexity: 223
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.1
CatalogNumber:
AA28573
ChemicalName:
(S)-tert-Butyl 3-((methylamino)methyl)pyrrolidine-1-carboxylate
CasNumber:
1245642-79-8
MolecularFormula:
C11H22N2O2
MolecularWeight:
214.3046
MdlNumber:
MFCD11616684
Smiles:
CNC[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Complexity:
223
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(n1)c1cccc(c1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Fc1cccc(n1)c1cccc(c1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AA28575
ChemicalName: (S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride
CasNumber: 1245606-63-6
MolecularFormula: C10H13BrClNO2
MolecularWeight: 294.5727
MdlNumber: MFCD12911008
Smiles: COC(=O)C[C@@H](c1ccc(cc1)Br)N.Cl
Complexity: 191
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AA28575
ChemicalName:
(S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride
CasNumber:
1245606-63-6
MolecularFormula:
C10H13BrClNO2
MolecularWeight:
294.5727
MdlNumber:
MFCD12911008
Smiles:
COC(=O)C[C@@H](c1ccc(cc1)Br)N.Cl
Complexity:
191
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cnc(cn1)NC(=O)c1cc(Oc2cnc(nc2)C(=O)N(C)C)c2c(c1)oc(c2)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cnc(cn1)NC(=O)c1cc(Oc2cnc(nc2)C(=O)N(C)C)c2c(c1)oc(c2)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__