AH92584
887591-62-0 | 1-Boc-3-methylazetidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH92584
ChemicalName
1-Boc-3-methylazetidine-3-carboxylic acid
CasNumber
887591-62-0
MolecularFormula
C10H17NO4
MolecularWeight
215.2463
MdlNumber
MFCD12406581
Smiles
O=C(N1CC(C1)(C)C(=O)O)OC(C)(C)C
Complexity
286
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AH92584
ChemicalName: 1-Boc-3-methylazetidine-3-carboxylic acid
CasNumber: 887591-62-0
MolecularFormula: C10H17NO4
MolecularWeight: 215.2463
MdlNumber: MFCD12406581
Smiles: O=C(N1CC(C1)(C)C(=O)O)OC(C)(C)C
Complexity: 286
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AH92584
ChemicalName:
1-Boc-3-methylazetidine-3-carboxylic acid
CasNumber:
887591-62-0
MolecularFormula:
C10H17NO4
MolecularWeight:
215.2463
MdlNumber:
MFCD12406581
Smiles:
O=C(N1CC(C1)(C)C(=O)O)OC(C)(C)C
Complexity:
286
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cc(cc(c1c1cc2ccccc2c2-c3c(OP(=O)(Oc12)O)c(cc1c3cccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cc(cc(c1c1cc2ccccc2c2-c3c(OP(=O)(Oc12)O)c(cc1c3cccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc2c1[nH]nc2C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc2c1[nH]nc2C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(c(c1C)Cl)N
Complexity: 120
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(c(c1C)Cl)N
Complexity:
120
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3