Benzoic acid, 2-[(2-amino-1-oxopropyl)amino]-, ethyl ester, (S)- (9CI)
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![Benzoic acid, 2-[(2-amino-1-oxopropyl)amino]-, ethyl ester, (S)- (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/be584e39abc3482a8d4e966df4d29264.png "Benzoic acid, 2-[(2-amino-1-oxopropyl)amino]-, ethyl ester, (S)- (9CI)")
Benzoic acid, 2-[(2-amino-1-oxopropyl)amino]-, ethyl ester, (S)- (9CI)
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CAS No:
775521-65-8
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Formula:
C12H16N2O3
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Chemical Name:
Benzoic acid, 2-[(2-amino-1-oxopropyl)amino]-, ethyl ester, (S)- (9CI)
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Synonyms:
Ethyl 2-(L-alanylamino)benzoate;ZINC11958199;AKOS017417149
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CAS No:
Benzoic acid, 2-[(2-amino-1-oxopropyl)amino]-, ethyl ester, (S)- (9CI) Basic Attributes
236.26704
236.116092
Computed Properties
Molecular Weight:236.27
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:236.11609238
Monoisotopic Mass:236.11609238
Topological Polar Surface Area:81.4
Heavy Atom Count:17
Complexity:281
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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