AB53952
76003-30-0 | 1-Boc-2-methyl-3-oxopiperazine
Manufacturer: A2B Chem
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CatalogNumber
AB53952
ChemicalName
1-Boc-2-methyl-3-oxopiperazine
CasNumber
76003-30-0
MolecularFormula
C10H18N2O3
MolecularWeight
214.2615
MdlNumber
MFCD06803995
Smiles
CC1C(=O)NCCN1C(=O)OC(C)(C)C
Complexity
270
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AB53952
ChemicalName: 1-Boc-2-methyl-3-oxopiperazine
CasNumber: 76003-30-0
MolecularFormula: C10H18N2O3
MolecularWeight: 214.2615
MdlNumber: MFCD06803995
Smiles: CC1C(=O)NCCN1C(=O)OC(C)(C)C
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AB53952
ChemicalName:
1-Boc-2-methyl-3-oxopiperazine
CasNumber:
76003-30-0
MolecularFormula:
C10H18N2O3
MolecularWeight:
214.2615
MdlNumber:
MFCD06803995
Smiles:
CC1C(=O)NCCN1C(=O)OC(C)(C)C
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
CatalogNumber: AB53953
ChemicalName: 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid
CasNumber: 479553-01-0
MolecularFormula: C8H6N2O2
MolecularWeight: 162.1454
MdlNumber: MFCD08272236
Smiles: OC(=O)c1ccnc2c1cc[nH]2
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
AB53953
ChemicalName:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid
CasNumber:
479553-01-0
MolecularFormula:
C8H6N2O2
MolecularWeight:
162.1454
MdlNumber:
MFCD08272236
Smiles:
OC(=O)c1ccnc2c1cc[nH]2
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(c1ccccc1)(c1ccccc1)[C@@H]1OC(O[C@H]1C(c1ccccc1)(c1ccccc1)O)(C)C
Complexity: 574
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 5.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(c1ccccc1)(c1ccccc1)[C@@H]1OC(O[C@H]1C(c1ccccc1)(c1ccccc1)O)(C)C
Complexity:
574
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
5.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@@H](CC(=O)OC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@@H](CC(=O)OC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__