AA37858
1268521-78-3 | 2-(1-[(tert-Butoxy)carbonyl]azepan-4-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA37858
ChemicalName
2-(1-[(tert-Butoxy)carbonyl]azepan-4-yl)acetic acid
CasNumber
1268521-78-3
MolecularFormula
C13H23NO4
MolecularWeight
257.32602
MdlNumber
MFCD18633020
Smiles
OC(=O)CC1CCCN(CC1)C(=O)OC(C)(C)C
Complexity
309
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AA37858
ChemicalName: 2-(1-[(tert-Butoxy)carbonyl]azepan-4-yl)acetic acid
CasNumber: 1268521-78-3
MolecularFormula: C13H23NO4
MolecularWeight: 257.32602
MdlNumber: MFCD18633020
Smiles: OC(=O)CC1CCCN(CC1)C(=O)OC(C)(C)C
Complexity: 309
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AA37858
ChemicalName:
2-(1-[(tert-Butoxy)carbonyl]azepan-4-yl)acetic acid
CasNumber:
1268521-78-3
MolecularFormula:
C13H23NO4
MolecularWeight:
257.32602
MdlNumber:
MFCD18633020
Smiles:
OC(=O)CC1CCCN(CC1)C(=O)OC(C)(C)C
Complexity:
309
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1c(Cl)c2occc2nc1C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(Cl)c2occc2nc1C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA37860
ChemicalName: 1-[4-(2-Aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CasNumber: 1268521-58-9
MolecularFormula: C12H24N2O
MolecularWeight: 212.3318
MdlNumber: MFCD18632894
Smiles: NCCC1CCN(CC1)C(=O)C(C)(C)C
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
AA37860
ChemicalName:
1-[4-(2-Aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CasNumber:
1268521-58-9
MolecularFormula:
C12H24N2O
MolecularWeight:
212.3318
MdlNumber:
MFCD18632894
Smiles:
NCCC1CCN(CC1)C(=O)C(C)(C)C
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1cnc2c1nncc2Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1cnc2c1nncc2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__