AI34950
1422344-11-3 | 2-(1-(tert-Butoxycarbonyl)-3-methylpyrrolidin-3-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI34950
ChemicalName
2-(1-(tert-Butoxycarbonyl)-3-methylpyrrolidin-3-yl)acetic acid
CasNumber
1422344-11-3
MolecularFormula
C12H21NO4
MolecularWeight
243.29944000000003
MdlNumber
MFCD28110446
Smiles
OC(=O)CC1(C)CCN(C1)C(=O)OC(C)(C)C
Complexity
321
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AI34950
ChemicalName: 2-(1-(tert-Butoxycarbonyl)-3-methylpyrrolidin-3-yl)acetic acid
CasNumber: 1422344-11-3
MolecularFormula: C12H21NO4
MolecularWeight: 243.29944000000003
MdlNumber: MFCD28110446
Smiles: OC(=O)CC1(C)CCN(C1)C(=O)OC(C)(C)C
Complexity: 321
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AI34950
ChemicalName:
2-(1-(tert-Butoxycarbonyl)-3-methylpyrrolidin-3-yl)acetic acid
CasNumber:
1422344-11-3
MolecularFormula:
C12H21NO4
MolecularWeight:
243.29944000000003
MdlNumber:
MFCD28110446
Smiles:
OC(=O)CC1(C)CCN(C1)C(=O)OC(C)(C)C
Complexity:
321
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: __
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MolecularFormula: __
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Smiles: ICC1CCC2(O1)COCCN(C2)C(=O)OC(C)(C)C
Complexity: __
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UndefinedAtomStereocenterCount: __
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Smiles:
ICC1CCC2(O1)COCCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: O=C1CO[C@@H]2[C@@H](N1Cc1ccccc1)CC[C@H]2O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
Complexity: __
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Smiles:
O=C1CO[C@@H]2[C@@H](N1Cc1ccccc1)CC[C@H]2O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCOC(=O)c1c2ccccn2c2c1c(Cl)ncn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1c2ccccn2c2c1c(Cl)ncn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__