AF57213
398491-59-3 | tert-Butyl 3-amino-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1h)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF57213
ChemicalName
tert-Butyl 3-amino-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1h)-carboxylate
CasNumber
398491-59-3
MolecularFormula
C10H16N4O2
MolecularWeight
224.2596
MdlNumber
MFCD08275050
Smiles
O=C(N1Cc2c(C1)c(n[nH]2)N)OC(C)(C)C
Complexity
289
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AF57213
ChemicalName: tert-Butyl 3-amino-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1h)-carboxylate
CasNumber: 398491-59-3
MolecularFormula: C10H16N4O2
MolecularWeight: 224.2596
MdlNumber: MFCD08275050
Smiles: O=C(N1Cc2c(C1)c(n[nH]2)N)OC(C)(C)C
Complexity: 289
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AF57213
ChemicalName:
tert-Butyl 3-amino-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1h)-carboxylate
CasNumber:
398491-59-3
MolecularFormula:
C10H16N4O2
MolecularWeight:
224.2596
MdlNumber:
MFCD08275050
Smiles:
O=C(N1Cc2c(C1)c(n[nH]2)N)OC(C)(C)C
Complexity:
289
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)NC1=CC2=CC(=C(C(=C2OC1=O)Br)OC)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(=O)NC1=CC2=CC(=C(C(=C2OC1=O)Br)OC)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AF57215
ChemicalName: 4-(2-Carboxy-ethyl)-2-methyl-1h-pyrrole-3-carboxylic acid ethyl ester
CasNumber: 38664-16-3
MolecularFormula: C11H15NO4
MolecularWeight: 225.2411
MdlNumber: MFCD09833175
Smiles: CCOC(=O)c1c(C)[nH]cc1CCC(=O)O
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 1.1
CatalogNumber:
AF57215
ChemicalName:
4-(2-Carboxy-ethyl)-2-methyl-1h-pyrrole-3-carboxylic acid ethyl ester
CasNumber:
38664-16-3
MolecularFormula:
C11H15NO4
MolecularWeight:
225.2411
MdlNumber:
MFCD09833175
Smiles:
CCOC(=O)c1c(C)[nH]cc1CCC(=O)O
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C1=C(C2=C(C=CC(=C2N1)Cl)C(=O)O)CCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1=C(C2=C(C=CC(=C2N1)Cl)C(=O)O)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__