AA94417
175526-97-3 | N-Boc-3-pyrrolidineacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA94417
ChemicalName
N-Boc-3-pyrrolidineacetic acid
CasNumber
175526-97-3
MolecularFormula
C11H19NO4
MolecularWeight
229.2729
MdlNumber
MFCD02179024
Smiles
OC(=O)CC1CCN(C1)C(=O)OC(C)(C)C
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AA94417
ChemicalName: N-Boc-3-pyrrolidineacetic acid
CasNumber: 175526-97-3
MolecularFormula: C11H19NO4
MolecularWeight: 229.2729
MdlNumber: MFCD02179024
Smiles: OC(=O)CC1CCN(C1)C(=O)OC(C)(C)C
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AA94417
ChemicalName:
N-Boc-3-pyrrolidineacetic acid
CasNumber:
175526-97-3
MolecularFormula:
C11H19NO4
MolecularWeight:
229.2729
MdlNumber:
MFCD02179024
Smiles:
OC(=O)CC1CCN(C1)C(=O)OC(C)(C)C
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([C@@H]1[C@H]2CC[C@@H]([C@H]1N)C2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([C@@H]1[C@H]2CC[C@@H]([C@H]1N)C2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA94422
ChemicalName: (R)-(-)-2,3,7,7A-Tetrahydro-7a-methyl-1h-indene-1,5(6h)-dione
CasNumber: 17553-89-8
MolecularFormula: C10H12O2
MolecularWeight: 164.20108
MdlNumber: MFCD08235115
Smiles: O=C1CC[C@@]2(C(=C1)CCC2=O)C
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.3
CatalogNumber:
AA94422
ChemicalName:
(R)-(-)-2,3,7,7A-Tetrahydro-7a-methyl-1h-indene-1,5(6h)-dione
CasNumber:
17553-89-8
MolecularFormula:
C10H12O2
MolecularWeight:
164.20108
MdlNumber:
MFCD08235115
Smiles:
O=C1CC[C@@]2(C(=C1)CCC2=O)C
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CC[C@]2(C(=C1)CCC2=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC[C@]2(C(=C1)CCC2=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__