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H-Asn-AMC

CAT: 0024-sc-300783Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-300783Size:250 mg
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CAS Number
115047-89-7

Chemical Information

(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)butanediamide
CAS Number115047-89-7
PubChem CID7020893
IUPAC Name(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)butanediamide
Molecular FormulaC14H15N3O4
Molecular Weight289.29
XLogP-0.6
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity489
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C14H15N3O4/c1-7-4-13(19)21-11-5-8(2-3-9(7)11)17-14(20)10(15)6-12(16)18/h2-5,10H,6,15H2,1H3,(H2,16,18)(H,17,20)/t10-/m0/s1
InChIKey
JGDQPBLEUGZCSJ-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)butanediamide
CAS: 115047-89-7
CID: 7020893
Formula: C14H15N3O4
MW: 289.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight289.29
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass289.10625597
Monoisotopic Mass289.10625597
Topological Polar Surface Area125 Ų
Heavy Atom Count21
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes