Benzoic acid, 3-[[[(2S,4R)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]- (9CI)
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Benzoic acid, 3-[[[(2S,4R)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]- (9CI)
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CAS No:
770703-11-2
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Formula:
C12H14N2O4
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Chemical Name:
Benzoic acid, 3-[[[(2S,4R)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]- (9CI)
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Synonyms:
3-{[(4R)-4-Hydroxy-L-prolyl]amino}benzoic acid;ZINC34629813;3-((2S,4R)-4-Hydroxypyrrolidine-2-carboxamido)benzoic acid
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CAS No:
Benzoic acid, 3-[[[(2S,4R)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]- (9CI) Basic Attributes
250.25056
250.095
Computed Properties
Molecular Weight:250.25
XLogP3:-2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:250.09535693
Monoisotopic Mass:250.09535693
Topological Polar Surface Area:98.7
Heavy Atom Count:18
Complexity:334
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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