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Sacubitril Amine-ester Impurity HCl

CAT: 1596-AR-S01020-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S01020-01Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149690-12-0
Synonyms
(2R,4S) -4-Amino-5- (biphenyl-4-yl) -2-methylpentanoic Acid Ethyl Ester Hydrochloride
Molecular Formula
C20H25NO2. HCl
Molecular Weight
311.43; 36.46
API Name
Sacubitril

Chemical Information

(2R,4S)-4-amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride
CAS Number149690-12-0
PubChem CID25017086
IUPAC Nameethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
Molecular FormulaC20H26ClNO2
Molecular Weight347.9
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity344
SMILES
CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)N.Cl
InChI
InChI=1S/C20H25NO2.ClH/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;/h4-12,15,19H,3,13-14,21H2,1-2H3;1H/t15-,19+;/m1./s1
InChIKey
MYJTZLYRAWUSLB-WSCVZUBPSA-N
Chemical Structure
2D Structure
2D structure of (2R,4S)-4-amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride
CAS: 149690-12-0
CID: 25017086
Formula: C20H26ClNO2
MW: 347.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass347.1652068
Monoisotopic Mass347.1652068
Topological Polar Surface Area52.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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