AD67179
168683-02-1 | (1S,4R)-Methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD67179
ChemicalName
(1S,4R)-Methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate
CasNumber
168683-02-1
MolecularFormula
C12H19NO4
MolecularWeight
241.2836
MdlNumber
MFCD02259716
Smiles
COC(=O)[C@@H]1C=C[C@@H](C1)NC(=O)OC(C)(C)C
Complexity
330
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.6
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CatalogNumber: AD67179
ChemicalName: (1S,4R)-Methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate
CasNumber: 168683-02-1
MolecularFormula: C12H19NO4
MolecularWeight: 241.2836
MdlNumber: MFCD02259716
Smiles: COC(=O)[C@@H]1C=C[C@@H](C1)NC(=O)OC(C)(C)C
Complexity: 330
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.6
CatalogNumber:
AD67179
ChemicalName:
(1S,4R)-Methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate
CasNumber:
168683-02-1
MolecularFormula:
C12H19NO4
MolecularWeight:
241.2836
MdlNumber:
MFCD02259716
Smiles:
COC(=O)[C@@H]1C=C[C@@H](C1)NC(=O)OC(C)(C)C
Complexity:
330
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.6
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Smiles: O=C(C(=C)C)OC1CCCC1
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Smiles:
O=C(C(=C)C)OC1CCCC1
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Smiles: Cc1nc2ccccn2c(=O)c1Cl
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Smiles:
Cc1nc2ccccn2c(=O)c1Cl
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Smiles: FC1(F)CCN(C1)C1CCNCC1
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC1(F)CCN(C1)C1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__