AB44384
77087-60-6 | 3-[[(1,1-Dimethylethoxy)carbonyl]amino]-l-alanine methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB44384
ChemicalName
3-[[(1,1-Dimethylethoxy)carbonyl]amino]-l-alanine methyl ester
CasNumber
77087-60-6
MolecularFormula
C9H18N2O4
MolecularWeight
218.2502
MdlNumber
MFCD04039602
Smiles
COC(=O)[C@H](CNC(=O)OC(C)(C)C)N
Complexity
235
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
-0.1
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CatalogNumber: AB44384
ChemicalName: 3-[[(1,1-Dimethylethoxy)carbonyl]amino]-l-alanine methyl ester
CasNumber: 77087-60-6
MolecularFormula: C9H18N2O4
MolecularWeight: 218.2502
MdlNumber: MFCD04039602
Smiles: COC(=O)[C@H](CNC(=O)OC(C)(C)C)N
Complexity: 235
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: -0.1
CatalogNumber:
AB44384
ChemicalName:
3-[[(1,1-Dimethylethoxy)carbonyl]amino]-l-alanine methyl ester
CasNumber:
77087-60-6
MolecularFormula:
C9H18N2O4
MolecularWeight:
218.2502
MdlNumber:
MFCD04039602
Smiles:
COC(=O)[C@H](CNC(=O)OC(C)(C)C)N
Complexity:
235
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
-0.1
CatalogNumber: AB44385
ChemicalName: 3-[2-(Trifluoromethyl)phenyl]propanoic acid
CasNumber: 94022-99-8
MolecularFormula: C10H9F3O2
MolecularWeight: 218.1725
MdlNumber: MFCD06823965
Smiles: OC(=O)CCc1ccccc1C(F)(F)F
Complexity: 225
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AB44385
ChemicalName:
3-[2-(Trifluoromethyl)phenyl]propanoic acid
CasNumber:
94022-99-8
MolecularFormula:
C10H9F3O2
MolecularWeight:
218.1725
MdlNumber:
MFCD06823965
Smiles:
OC(=O)CCc1ccccc1C(F)(F)F
Complexity:
225
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: AB44386
ChemicalName: 3-(1,2-Dimethyl-3-indolyl)-3-[4-(diethylamino)-2-methylphenyl]phthalide
CasNumber: 36499-49-7
MolecularFormula: C29H30N2O2
MolecularWeight: 438.5607
MdlNumber: MFCD08276348
Smiles: CCN(c1ccc(c(c1)C)C1(OC(=O)c2c1cccc2)c1c(C)n(c2c1cccc2)C)CC
Complexity: 708
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 6.2
CatalogNumber:
AB44386
ChemicalName:
3-(1,2-Dimethyl-3-indolyl)-3-[4-(diethylamino)-2-methylphenyl]phthalide
CasNumber:
36499-49-7
MolecularFormula:
C29H30N2O2
MolecularWeight:
438.5607
MdlNumber:
MFCD08276348
Smiles:
CCN(c1ccc(c(c1)C)C1(OC(=O)c2c1cccc2)c1c(C)n(c2c1cccc2)C)CC
Complexity:
708
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
6.2
CatalogNumber: AB44387
ChemicalName: 3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester
CasNumber: 540752-87-2
MolecularFormula: C21H33BN2O4
MolecularWeight: 388.3087
MdlNumber: MFCD07781212
Smiles: O=C(N1CCN(CC1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 551
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB44387
ChemicalName:
3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester
CasNumber:
540752-87-2
MolecularFormula:
C21H33BN2O4
MolecularWeight:
388.3087
MdlNumber:
MFCD07781212
Smiles:
O=C(N1CCN(CC1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
551
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
__