AB27300
2507-61-1 | (2S,4R)-4-Fluoropyrrolidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB27300
ChemicalName
(2S,4R)-4-Fluoropyrrolidine-2-carboxylic acid
CasNumber
2507-61-1
MolecularFormula
C5H8FNO2
MolecularWeight
133.1209
MdlNumber
MFCD02683982
Smiles
OC(=O)[C@@H]1C[C@H](CN1)F
Complexity
128
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-2.3
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CatalogNumber: AB27300
ChemicalName: (2S,4R)-4-Fluoropyrrolidine-2-carboxylic acid
CasNumber: 2507-61-1
MolecularFormula: C5H8FNO2
MolecularWeight: 133.1209
MdlNumber: MFCD02683982
Smiles: OC(=O)[C@@H]1C[C@H](CN1)F
Complexity: 128
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -2.3
CatalogNumber:
AB27300
ChemicalName:
(2S,4R)-4-Fluoropyrrolidine-2-carboxylic acid
CasNumber:
2507-61-1
MolecularFormula:
C5H8FNO2
MolecularWeight:
133.1209
MdlNumber:
MFCD02683982
Smiles:
OC(=O)[C@@H]1C[C@H](CN1)F
Complexity:
128
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-2.3
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Smiles: CCCCCCCCCCCCC(C(=O)O)O
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Smiles:
CCCCCCCCCCCCC(C(=O)O)O
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Smiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)Cc1ccc(cc1)O)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C)CC(=O)O)CC(=O)N
Complexity: __
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Smiles:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)Cc1ccc(cc1)O)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C)CC(=O)O)CC(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1cc(ccc1OC)Cc1cnc(nc1N)N.Cl
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1cc(ccc1OC)Cc1cnc(nc1N)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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