AI52781
569667-93-2 | tert-Butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI52781
ChemicalName
tert-Butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
CasNumber
569667-93-2
MolecularFormula
C12H22N2O4
MolecularWeight
258.3141
MdlNumber
MFCD11975774
Smiles
CON(C(=O)C1CCN(C1)C(=O)OC(C)(C)C)C
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AI52781
ChemicalName: tert-Butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
CasNumber: 569667-93-2
MolecularFormula: C12H22N2O4
MolecularWeight: 258.3141
MdlNumber: MFCD11975774
Smiles: CON(C(=O)C1CCN(C1)C(=O)OC(C)(C)C)C
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AI52781
ChemicalName:
tert-Butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
CasNumber:
569667-93-2
MolecularFormula:
C12H22N2O4
MolecularWeight:
258.3141
MdlNumber:
MFCD11975774
Smiles:
CON(C(=O)C1CCN(C1)C(=O)OC(C)(C)C)C
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
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Smiles: C1=CC(=CC(=C1)Br)N.Cl
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Smiles:
C1=CC(=CC(=C1)Br)N.Cl
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Smiles: O=C(Nc1cccnc1C(=O)O)OC(C)(C)C
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Smiles:
O=C(Nc1cccnc1C(=O)O)OC(C)(C)C
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
Xlogp3:
__
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Smiles: O=C(O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C)CCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__