AI16251
1251001-42-9 | tert-Butyl 4-(hydroxymethyl)-3-isopropyl-6,7-dihydro-3H-imidazo[4,5-c]pyridine-5(4H)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI16251
ChemicalName
tert-Butyl 4-(hydroxymethyl)-3-isopropyl-6,7-dihydro-3H-imidazo[4,5-c]pyridine-5(4H)-carboxylate
CasNumber
1251001-42-9
MolecularFormula
C15H25N3O3
MolecularWeight
295.3773
MdlNumber
MFCD18792184
Smiles
OCC1N(CCc2c1n(cn2)C(C)C)C(=O)OC(C)(C)C
Complexity
381
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AI16251
ChemicalName: tert-Butyl 4-(hydroxymethyl)-3-isopropyl-6,7-dihydro-3H-imidazo[4,5-c]pyridine-5(4H)-carboxylate
CasNumber: 1251001-42-9
MolecularFormula: C15H25N3O3
MolecularWeight: 295.3773
MdlNumber: MFCD18792184
Smiles: OCC1N(CCc2c1n(cn2)C(C)C)C(=O)OC(C)(C)C
Complexity: 381
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AI16251
ChemicalName:
tert-Butyl 4-(hydroxymethyl)-3-isopropyl-6,7-dihydro-3H-imidazo[4,5-c]pyridine-5(4H)-carboxylate
CasNumber:
1251001-42-9
MolecularFormula:
C15H25N3O3
MolecularWeight:
295.3773
MdlNumber:
MFCD18792184
Smiles:
OCC1N(CCc2c1n(cn2)C(C)C)C(=O)OC(C)(C)C
Complexity:
381
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI16253
ChemicalName: Spiro[azetidine-3,3'-[3H]indole]-1-carboxylic acid, 1',2'-dihydro-2'-oxo-, 1,1-dimethylethyl ester
CasNumber: 1251001-73-6
MolecularFormula: C15H18N2O3
MolecularWeight: 274.31502
MdlNumber: MFCD17017342
Smiles: O=C(N1CC2(C1)C(=O)Nc1c2cccc1)OC(C)(C)C
Complexity: 435
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
AI16253
ChemicalName:
Spiro[azetidine-3,3'-[3H]indole]-1-carboxylic acid, 1',2'-dihydro-2'-oxo-, 1,1-dimethylethyl ester
CasNumber:
1251001-73-6
MolecularFormula:
C15H18N2O3
MolecularWeight:
274.31502
MdlNumber:
MFCD17017342
Smiles:
O=C(N1CC2(C1)C(=O)Nc1c2cccc1)OC(C)(C)C
Complexity:
435
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)OCc1ccccc1)CN(C2)C(=O)OC(C)(C)C
Complexity: 610
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)OCc1ccccc1)CN(C2)C(=O)OC(C)(C)C
Complexity:
610
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4