AA47643
132622-66-3 | (2S,4S)-1-Boc-4-amino-pyrrolidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA47643
ChemicalName
(2S,4S)-1-Boc-4-amino-pyrrolidine-2-carboxylic acid
CasNumber
132622-66-3
MolecularFormula
C10H18N2O4
MolecularWeight
230.2609
MdlNumber
MFCD03427029
Smiles
N[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Complexity
298
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-2.3
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CatalogNumber: AA47643
ChemicalName: (2S,4S)-1-Boc-4-amino-pyrrolidine-2-carboxylic acid
CasNumber: 132622-66-3
MolecularFormula: C10H18N2O4
MolecularWeight: 230.2609
MdlNumber: MFCD03427029
Smiles: N[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Complexity: 298
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -2.3
CatalogNumber:
AA47643
ChemicalName:
(2S,4S)-1-Boc-4-amino-pyrrolidine-2-carboxylic acid
CasNumber:
132622-66-3
MolecularFormula:
C10H18N2O4
MolecularWeight:
230.2609
MdlNumber:
MFCD03427029
Smiles:
N[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Complexity:
298
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Complexity: 397
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
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Smiles:
[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Complexity:
397
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)Nc1ccc(cc1)c1ccccc1
Complexity: __
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HydrogenBondDonorCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
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Smiles:
NC(=O)Nc1ccc(cc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(Nc1c(C)cccc1C)Nc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1c(C)cccc1C)Nc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__