AA54867
1219832-34-4 | tert-Butyl 3-cyano-3-hydroxypiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA54867
ChemicalName
tert-Butyl 3-cyano-3-hydroxypiperidine-1-carboxylate
CasNumber
1219832-34-4
MolecularFormula
C11H18N2O3
MolecularWeight
226.2722
MdlNumber
MFCD21362392
Smiles
N#CC1(O)CCCN(C1)C(=O)OC(C)(C)C
Complexity
326
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AA54867
ChemicalName: tert-Butyl 3-cyano-3-hydroxypiperidine-1-carboxylate
CasNumber: 1219832-34-4
MolecularFormula: C11H18N2O3
MolecularWeight: 226.2722
MdlNumber: MFCD21362392
Smiles: N#CC1(O)CCCN(C1)C(=O)OC(C)(C)C
Complexity: 326
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AA54867
ChemicalName:
tert-Butyl 3-cyano-3-hydroxypiperidine-1-carboxylate
CasNumber:
1219832-34-4
MolecularFormula:
C11H18N2O3
MolecularWeight:
226.2722
MdlNumber:
MFCD21362392
Smiles:
N#CC1(O)CCCN(C1)C(=O)OC(C)(C)C
Complexity:
326
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
CatalogNumber: AA54868
ChemicalName: 1-(Ethanesulfonyl)azetidine-3-carboxylic acid
CasNumber: 1219828-33-7
MolecularFormula: C6H11NO4S
MolecularWeight: 193.2208
MdlNumber: MFCD16653315
Smiles: CCS(=O)(=O)N1CC(C1)C(=O)O
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: -0.8
CatalogNumber:
AA54868
ChemicalName:
1-(Ethanesulfonyl)azetidine-3-carboxylic acid
CasNumber:
1219828-33-7
MolecularFormula:
C6H11NO4S
MolecularWeight:
193.2208
MdlNumber:
MFCD16653315
Smiles:
CCS(=O)(=O)N1CC(C1)C(=O)O
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1CN(C1)S(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CN(C1)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)c1ccc2c(c1)c1ccccc1n2c1ccc(cc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)c1ccc2c(c1)c1ccccc1n2c1ccc(cc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__