AV18199
1206824-76-1 | tert-Butyl (2-carbamoyl-1H-pyrrol-1-yl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AV18199
ChemicalName
tert-Butyl (2-carbamoyl-1H-pyrrol-1-yl)carbamate
CasNumber
1206824-76-1
MolecularFormula
C10H15N3O3
MolecularWeight
225.2444
MdlNumber
MFCD24471141
Smiles
O=C(OC(C)(C)C)Nn1cccc1C(=O)N
Complexity
286
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.4
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CatalogNumber: AV18199
ChemicalName: tert-Butyl (2-carbamoyl-1H-pyrrol-1-yl)carbamate
CasNumber: 1206824-76-1
MolecularFormula: C10H15N3O3
MolecularWeight: 225.2444
MdlNumber: MFCD24471141
Smiles: O=C(OC(C)(C)C)Nn1cccc1C(=O)N
Complexity: 286
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AV18199
ChemicalName:
tert-Butyl (2-carbamoyl-1H-pyrrol-1-yl)carbamate
CasNumber:
1206824-76-1
MolecularFormula:
C10H15N3O3
MolecularWeight:
225.2444
MdlNumber:
MFCD24471141
Smiles:
O=C(OC(C)(C)C)Nn1cccc1C(=O)N
Complexity:
286
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: AV18200
ChemicalName: tert-Butyl 7-oxo-6-((S)-1-phenylethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CasNumber: 1133325-57-1
MolecularFormula: C18H24N2O3
MolecularWeight: 316.3948
MdlNumber: MFCD29917035
Smiles: C[C@H](N1C2CCN(C2C1=O)C(=O)OC(C)(C)C)c1ccccc1
Complexity: 479
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AV18200
ChemicalName:
tert-Butyl 7-oxo-6-((S)-1-phenylethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CasNumber:
1133325-57-1
MolecularFormula:
C18H24N2O3
MolecularWeight:
316.3948
MdlNumber:
MFCD29917035
Smiles:
C[C@H](N1C2CCN(C2C1=O)C(=O)OC(C)(C)C)c1ccccc1
Complexity:
479
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)/C=C/c1ccc(cc1[N+](=O)[O-])C#N
Complexity: 391
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)/C=C/c1ccc(cc1[N+](=O)[O-])C#N
Complexity:
391
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCS(=O)CC1)OC(C)(C)C
Complexity: 237
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCS(=O)CC1)OC(C)(C)C
Complexity:
237
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1