AI16316
1251009-59-2 | 7-Oxa-2-aza-spiro[3.5]nonane-2,5-dicarboxylic acid 2-tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI16316
ChemicalName
7-Oxa-2-aza-spiro[3.5]nonane-2,5-dicarboxylic acid 2-tert-butyl ester
CasNumber
1251009-59-2
MolecularFormula
C13H21NO5
MolecularWeight
271.30953999999997
MdlNumber
MFCD14581245
Smiles
OC(=O)C1COCCC21CN(C2)C(=O)OC(C)(C)C
Complexity
381
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AI16316
ChemicalName: 7-Oxa-2-aza-spiro[3.5]nonane-2,5-dicarboxylic acid 2-tert-butyl ester
CasNumber: 1251009-59-2
MolecularFormula: C13H21NO5
MolecularWeight: 271.30953999999997
MdlNumber: MFCD14581245
Smiles: OC(=O)C1COCCC21CN(C2)C(=O)OC(C)(C)C
Complexity: 381
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AI16316
ChemicalName:
7-Oxa-2-aza-spiro[3.5]nonane-2,5-dicarboxylic acid 2-tert-butyl ester
CasNumber:
1251009-59-2
MolecularFormula:
C13H21NO5
MolecularWeight:
271.30953999999997
MdlNumber:
MFCD14581245
Smiles:
OC(=O)C1COCCC21CN(C2)C(=O)OC(C)(C)C
Complexity:
381
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCOC(=O)[C@]12CCCN([C@@H]2CN(C1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity: __
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RotatableBondCount: __
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Smiles:
CCOC(=O)[C@]12CCCN([C@@H]2CN(C1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O=C1CC[C@@H]2[C@H](N1)CCN2C(=O)OC(C)(C)C
Complexity: __
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Smiles:
O=C1CC[C@@H]2[C@H](N1)CCN2C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)C1Cn2c(C31CCN(CC3)C(=O)OC(C)(C)C)ncc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1Cn2c(C31CCN(CC3)C(=O)OC(C)(C)C)ncc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__