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摘 要: 3-[(2R)-2-acetamidopropyl]-1H-indole-2-carboxylic acid,Canonical SMILES: CC(CC1=C(NC2=CC=CC=C21)C(=O)O)NC(=O)C,Isomeric SMILES: C[[email protected]](CC1=C(NC2=CC=CC=C21)C(=O)O)NC(=O)C,InChI: InChI=1/C14H16N2O3/c1-8(15-9(2)17)7-11-10-5-3-4-6-12(10)16-13(11)14(18),
[Synonyms]

[Structure]
 3-[(2R)-2-acetamidopropyl]-1H-indole-2-carboxylic acid,Canonical SMIL

[ Properties Computed from Structure]
Molecular Weight260.28844 [g/mol]
Molecular FormulaC14H16N2O3
XLogP-2.6
H-Bond Donor3
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count4
Exact Mass260.116092
MonoIsotopic Mass260.116092
Topological Polar Surface Area82.2
Heavy Atom Count19
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-[(2R)-2-acetamidopropyl]-1H-indole-2-carboxylic acid
Canonical SMILES: CC(CC1=C(NC2=CC=CC=C21)C(=O)O)NC(=O)C
Isomeric SMILES: C[[email protected]](CC1=C(NC2=CC=CC=C21)C(=O)O)NC(=O)C
InChI: InChI=1/C14H16N2O3/c1-8(15-9(2)17)7-11-10-5-3-4-6-12(10)16-13(11)14(18)
19/h3-6,8,16H,7H2,1-2H3,(H,15,17)(H,18,19)/t8-/m1/s1/f/h15,18H

 
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