AB48583
916814-29-4 | Ethyl 4-oxopyrrolidine-3-carboxylate hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AB48583
ChemicalName
Ethyl 4-oxopyrrolidine-3-carboxylate hydrochloride
CasNumber
916814-29-4
MolecularFormula
C7H12ClNO3
MolecularWeight
193.6281
MdlNumber
MFCD17012780
Smiles
CCOC(=O)C1CNCC1=O.Cl
Complexity
179
Covalently-bondedUnitCount
2
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB48583
ChemicalName: Ethyl 4-oxopyrrolidine-3-carboxylate hydrochloride
CasNumber: 916814-29-4
MolecularFormula: C7H12ClNO3
MolecularWeight: 193.6281
MdlNumber: MFCD17012780
Smiles: CCOC(=O)C1CNCC1=O.Cl
Complexity: 179
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB48583
ChemicalName:
Ethyl 4-oxopyrrolidine-3-carboxylate hydrochloride
CasNumber:
916814-29-4
MolecularFormula:
C7H12ClNO3
MolecularWeight:
193.6281
MdlNumber:
MFCD17012780
Smiles:
CCOC(=O)C1CNCC1=O.Cl
Complexity:
179
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
CatalogNumber: AB48584
ChemicalName: 3-(Methoxymethyl)pyrrolidine
CasNumber: 936940-38-4
MolecularFormula: C6H13NO
MolecularWeight: 115.1735
MdlNumber: MFCD08688059
Smiles: COCC1CNCC1
Complexity: 65.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
CatalogNumber:
AB48584
ChemicalName:
3-(Methoxymethyl)pyrrolidine
CasNumber:
936940-38-4
MolecularFormula:
C6H13NO
MolecularWeight:
115.1735
MdlNumber:
MFCD08688059
Smiles:
COCC1CNCC1
Complexity:
65.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
CatalogNumber: AB48585
ChemicalName: Benzooxazole-5-boronic acid pinacol ester
CasNumber: 936902-12-4
MolecularFormula: C13H16BNO3
MolecularWeight: 245.082
MdlNumber: MFCD13181968
Smiles: CC1(C)OB(OC1(C)C)c1ccc2c(c1)nco2
Complexity: 318
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
CatalogNumber:
AB48585
ChemicalName:
Benzooxazole-5-boronic acid pinacol ester
CasNumber:
936902-12-4
MolecularFormula:
C13H16BNO3
MolecularWeight:
245.082
MdlNumber:
MFCD13181968
Smiles:
CC1(C)OB(OC1(C)C)c1ccc2c(c1)nco2
Complexity:
318
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
CatalogNumber: AB48586
ChemicalName: 3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid
CasNumber: 936727-05-8
MolecularFormula: C24H18F2N2O5
MolecularWeight: 452.4069
MdlNumber: MFCD16659051
Smiles: O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C
Complexity: 776
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
CatalogNumber:
AB48586
ChemicalName:
3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid
CasNumber:
936727-05-8
MolecularFormula:
C24H18F2N2O5
MolecularWeight:
452.4069
MdlNumber:
MFCD16659051
Smiles:
O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C
Complexity:
776
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__