AI40139
1820580-61-7 | cis-1-(4-Methoxybenzyl)-3-methylpiperidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI40139
ChemicalName
cis-1-(4-Methoxybenzyl)-3-methylpiperidine-2-carboxylic acid
CasNumber
1820580-61-7
MolecularFormula
C15H21NO3
MolecularWeight
263.3321
MdlNumber
MFCD28397254
Smiles
COc1ccc(cc1)CN1CCC[C@H]([C@H]1C(=O)O)C
Complexity
300
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.4
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CatalogNumber: AI40139
ChemicalName: cis-1-(4-Methoxybenzyl)-3-methylpiperidine-2-carboxylic acid
CasNumber: 1820580-61-7
MolecularFormula: C15H21NO3
MolecularWeight: 263.3321
MdlNumber: MFCD28397254
Smiles: COc1ccc(cc1)CN1CCC[C@H]([C@H]1C(=O)O)C
Complexity: 300
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.4
CatalogNumber:
AI40139
ChemicalName:
cis-1-(4-Methoxybenzyl)-3-methylpiperidine-2-carboxylic acid
CasNumber:
1820580-61-7
MolecularFormula:
C15H21NO3
MolecularWeight:
263.3321
MdlNumber:
MFCD28397254
Smiles:
COc1ccc(cc1)CN1CCC[C@H]([C@H]1C(=O)O)C
Complexity:
300
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC[C@H]1C[C@@H]2C3([C@@H]1C=C2)CC3
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC[C@H]1C[C@@H]2C3([C@@H]1C=C2)CC3
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI40143
ChemicalName: 3-tert-butyl 4-methyl (4S)-1,3-thiazolidine-3,4-dicarboxylate
CasNumber: 1820581-42-7
MolecularFormula: C10H17NO4S
MolecularWeight: 247.3113
MdlNumber: MFCD27578216
Smiles: COC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C
Complexity: 287
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AI40143
ChemicalName:
3-tert-butyl 4-methyl (4S)-1,3-thiazolidine-3,4-dicarboxylate
CasNumber:
1820581-42-7
MolecularFormula:
C10H17NO4S
MolecularWeight:
247.3113
MdlNumber:
MFCD27578216
Smiles:
COC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C
Complexity:
287
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CCCNC(=O)N
Complexity: 592
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CCCNC(=O)N
Complexity:
592
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5