AD11010
952681-82-2 | 2-(1'-(tert-Butoxycarbonyl)spiro[chroman-2,4'-piperidine]-4-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AD11010
ChemicalName
2-(1'-(tert-Butoxycarbonyl)spiro[chroman-2,4'-piperidine]-4-yl)acetic acid
CasNumber
952681-82-2
MolecularFormula
C20H27NO5
MolecularWeight
361.4321
MdlNumber
MFCD12198637
Smiles
OC(=O)CC1CC2(CCN(CC2)C(=O)OC(C)(C)C)Oc2c1cccc2
Complexity
533
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.8
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CatalogNumber: AD11010
ChemicalName: 2-(1'-(tert-Butoxycarbonyl)spiro[chroman-2,4'-piperidine]-4-yl)acetic acid
CasNumber: 952681-82-2
MolecularFormula: C20H27NO5
MolecularWeight: 361.4321
MdlNumber: MFCD12198637
Smiles: OC(=O)CC1CC2(CCN(CC2)C(=O)OC(C)(C)C)Oc2c1cccc2
Complexity: 533
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.8
CatalogNumber:
AD11010
ChemicalName:
2-(1'-(tert-Butoxycarbonyl)spiro[chroman-2,4'-piperidine]-4-yl)acetic acid
CasNumber:
952681-82-2
MolecularFormula:
C20H27NO5
MolecularWeight:
361.4321
MdlNumber:
MFCD12198637
Smiles:
OC(=O)CC1CC2(CCN(CC2)C(=O)OC(C)(C)C)Oc2c1cccc2
Complexity:
533
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.8
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Smiles: OC1CCC(CC1)(N)c1ccccc1
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Smiles:
OC1CCC(CC1)(N)c1ccccc1
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HydrogenBondDonorCount:
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Smiles: O=C1C(=O)c2c(N1Cc1ccccc1)ccc(c2)[N+](=O)[O-]
Complexity: __
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Smiles:
O=C1C(=O)c2c(N1Cc1ccccc1)ccc(c2)[N+](=O)[O-]
Complexity:
__
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HeavyAtomCount:
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RotatableBondCount:
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__
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Smiles: COB(C1CC2CC(C1C)C2(C)C)C1CC2CC(C1C)C2(C)C
Complexity: __
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HeavyAtomCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COB(C1CC2CC(C1C)C2(C)C)C1CC2CC(C1C)C2(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__