AF36429
215654-55-0 | 3-(2-tert-Butoxycarbonylamino-ethylcarbamoyl)-acrylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF36429
ChemicalName
3-(2-tert-Butoxycarbonylamino-ethylcarbamoyl)-acrylic acid
CasNumber
215654-55-0
MolecularFormula
C11H18N2O5
MolecularWeight
258.271
MdlNumber
MFCD28968002
Smiles
O=C(C=CC(=O)O)NCCNC(=O)OC(C)(C)C
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
7
UndefinedBondStereocenterCount
1
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CatalogNumber: AF36429
ChemicalName: 3-(2-tert-Butoxycarbonylamino-ethylcarbamoyl)-acrylic acid
CasNumber: 215654-55-0
MolecularFormula: C11H18N2O5
MolecularWeight: 258.271
MdlNumber: MFCD28968002
Smiles: O=C(C=CC(=O)O)NCCNC(=O)OC(C)(C)C
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 7
UndefinedBondStereocenterCount: 1
CatalogNumber:
AF36429
ChemicalName:
3-(2-tert-Butoxycarbonylamino-ethylcarbamoyl)-acrylic acid
CasNumber:
215654-55-0
MolecularFormula:
C11H18N2O5
MolecularWeight:
258.271
MdlNumber:
MFCD28968002
Smiles:
O=C(C=CC(=O)O)NCCNC(=O)OC(C)(C)C
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
7
UndefinedBondStereocenterCount:
1
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Smiles: COC(=O)c1ccc2c(c1)[nH]nc2C
Complexity: __
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Smiles:
COC(=O)c1ccc2c(c1)[nH]nc2C
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Smiles: O=Cc1cc(F)c(cc1[N+](=O)[O-])Br
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Smiles:
O=Cc1cc(F)c(cc1[N+](=O)[O-])Br
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: COc1cc(Cl)c(cc1C=O)Br
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1cc(Cl)c(cc1C=O)Br
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedBondStereocenterCount:
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