AI39318
1780899-28-6 | 1-(tert-Butoxycarbonyl)-4-hydroxy-3-methylpiperidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI39318
ChemicalName
1-(tert-Butoxycarbonyl)-4-hydroxy-3-methylpiperidine-3-carboxylic acid
CasNumber
1780899-28-6
MolecularFormula
C12H21NO5
MolecularWeight
259.2988
MdlNumber
MFCD21364741
Smiles
O=C(N1CCC(C(C1)(C)C(=O)O)O)OC(C)(C)C
Complexity
349
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
1.1
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CatalogNumber: AI39318
ChemicalName: 1-(tert-Butoxycarbonyl)-4-hydroxy-3-methylpiperidine-3-carboxylic acid
CasNumber: 1780899-28-6
MolecularFormula: C12H21NO5
MolecularWeight: 259.2988
MdlNumber: MFCD21364741
Smiles: O=C(N1CCC(C(C1)(C)C(=O)O)O)OC(C)(C)C
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.1
CatalogNumber:
AI39318
ChemicalName:
1-(tert-Butoxycarbonyl)-4-hydroxy-3-methylpiperidine-3-carboxylic acid
CasNumber:
1780899-28-6
MolecularFormula:
C12H21NO5
MolecularWeight:
259.2988
MdlNumber:
MFCD21364741
Smiles:
O=C(N1CCC(C(C1)(C)C(=O)O)O)OC(C)(C)C
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(Br)c(cc1Br)F
Complexity: 134
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(Br)c(cc1Br)F
Complexity:
134
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(N)c(cc1F)O
Complexity: 200
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(N)c(cc1F)O
Complexity:
200
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC(C(C1)O)(C)C(=O)O)OC(C)(C)C
Complexity: 349
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(C(C1)O)(C)C(=O)O)OC(C)(C)C
Complexity:
349
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1