AB49209
368866-17-5 | 3-Amino-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49209
ChemicalName
3-Amino-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid
CasNumber
368866-17-5
MolecularFormula
C11H20N2O4
MolecularWeight
244.2875
MdlNumber
MFCD03790945
Smiles
O=C(N1CCCC(C1)(N)C(=O)O)OC(C)(C)C
Complexity
324
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-2.2
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CatalogNumber: AB49209
ChemicalName: 3-Amino-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid
CasNumber: 368866-17-5
MolecularFormula: C11H20N2O4
MolecularWeight: 244.2875
MdlNumber: MFCD03790945
Smiles: O=C(N1CCCC(C1)(N)C(=O)O)OC(C)(C)C
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -2.2
CatalogNumber:
AB49209
ChemicalName:
3-Amino-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid
CasNumber:
368866-17-5
MolecularFormula:
C11H20N2O4
MolecularWeight:
244.2875
MdlNumber:
MFCD03790945
Smiles:
O=C(N1CCCC(C1)(N)C(=O)O)OC(C)(C)C
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1ccc(cc1)C
Complexity: 135
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1ccc(cc1)C
Complexity:
135
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9
CatalogNumber: AB49211
ChemicalName: 2-Chloro-4-methoxy-5-(trifluoromethyl)pyrimidine
CasNumber: 54-20-6
MolecularFormula: C5H3F3N2O2
MolecularWeight: 180.0847
MdlNumber: MFCD00006024
Smiles: O=c1[nH]c(=O)[nH]cc1C(F)(F)F
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB49211
ChemicalName:
2-Chloro-4-methoxy-5-(trifluoromethyl)pyrimidine
CasNumber:
54-20-6
MolecularFormula:
C5H3F3N2O2
MolecularWeight:
180.0847
MdlNumber:
MFCD00006024
Smiles:
O=c1[nH]c(=O)[nH]cc1C(F)(F)F
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=[I]c1ccccc1
Complexity: 76.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=[I]c1ccccc1
Complexity:
76.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2