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360573-13-3

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Basic Information
CAS No.: 360573-13-3
Name: 3-(1H-INDOL-3-YL)-2-[(5-METHYL-FURAN-2-CARBONYL)-AMINO]-PROPIONIC ACID
Molecular Structure:
Molecular Structure of 360573-13-3 (3-(1H-INDOL-3-YL)-2-[(5-METHYL-FURAN-2-CARBONYL)-AMINO]-PROPIONIC ACID)
Formula: C17H15N2O4
Molecular Weight: 311.3125
Synonyms: 3-(1H-INDOL-3-YL)-2-[(5-METHYL-FURAN-2-CARBONYL)-AMINO]-PROPIONIC ACID;TIMTEC-BB SBB012325
Boiling Point: 601.3 °C at 760 mmHg
Flash Point: 317.4 °C
Hazard Symbols: Xi
PSA: 95.33000
LogP: 2.88590
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Specification

The 3-(1H-indol-3-yl)-2-{[(5-methylfuran-2-yl)carbonyl]amino}propanoate is an organic compound with the formula C17H15N2O4. With the CAS registry number 360573-13-3, the IUPAC name of this chemical is (2R)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate.

Physical properties about 3-(1H-indol-3-yl)-2-{[(5-methylfuran-2-yl)carbonyl]amino}propanoate are: (1)ACD/LogP: 1.98; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 75.68 Å2; (6)Flash Point: 317.4 °C; (7)Enthalpy of Vaporization: 94.09 kJ/mol; (8)Boiling Point: 601.3 °C at 760 mmHg; (9)Vapour Pressure: 2.62E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C([O-])=O)Cc2c1ccccc1nc2)c3oc(cc3)C
(2)InChI: InChI=1/C17H16N2O4/c1-10-6-7-15(23-10)16(20)19-14(17(21)22)8-11-9-18-13-5-3-2-4-12(11)13/h2-7,9,14,18H,8H2,1H3,(H,19,20)(H,21,22)/p-1/t14-/m0/s1
(3)InChIKey: JKKNHOYMARTPDL-WMYPJWEOBQ
(4)Std. InChI: InChI=1S/C17H16N2O4/c1-10-6-7-15(23-10)16(20)19-14(17(21)22)8-11-9-18-13-5-3-2-4-12(11)13/h2-7,9,14,18H,8H2,1H3,(H,19,20)(H,21,22)/p-1/t14-/m0/s1
(5)Std. InChIKey: JKKNHOYMARTPDL-AWEZNQCLSA-M