AA66119
147722-75-6 | 3-Hydroxy-4-hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA66119
ChemicalName
3-Hydroxy-4-hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CasNumber
147722-75-6
MolecularFormula
C10H19NO4
MolecularWeight
217.26215999999994
MdlNumber
MFCD11558905
Smiles
OCC1CN(CC1O)C(=O)OC(C)(C)C
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
0.4
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CatalogNumber: AA66119
ChemicalName: 3-Hydroxy-4-hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CasNumber: 147722-75-6
MolecularFormula: C10H19NO4
MolecularWeight: 217.26215999999994
MdlNumber: MFCD11558905
Smiles: OCC1CN(CC1O)C(=O)OC(C)(C)C
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.4
CatalogNumber:
AA66119
ChemicalName:
3-Hydroxy-4-hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CasNumber:
147722-75-6
MolecularFormula:
C10H19NO4
MolecularWeight:
217.26215999999994
MdlNumber:
MFCD11558905
Smiles:
OCC1CN(CC1O)C(=O)OC(C)(C)C
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.4
CatalogNumber: __
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Smiles: NCCCc1ccc(c(c1)OC)OC
Complexity: __
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Smiles:
NCCCc1ccc(c(c1)OC)OC
Complexity:
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Smiles: OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)CC2=CC(=O)CC[C@]12C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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Smiles:
OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)CC2=CC(=O)CC[C@]12C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__