1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-hydroxy-1-[[(5'S)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]urea

2.1.2 InChI

InChI=1S/C16H20N2O4/c1-8-6-10-12(11(8)7-18(22)14(17)20)9(2)16(4-5-16)15(3,21)13(10)19/h6,21-22H,4-5,7H2,1-3H3,(H2,17,20)/t15-/m1/s1

2.1.3 InChI Key

VWMPVAZEBAKLFR-OAHLLOKOSA-N

2.1.4 Canonical SMILES

CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CN(C(=O)N)O

2.1.5 Isomeric SMILES

CC1=C(C2=C(C3(CC3)[C@](C(=O)C2=C1)(C)O)C)CN(C(=O)N)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Lp-284

2. Schembl23592489

3. Hy-139453a

4. Cs-0615175

2.3 Create Date

2020-08-13

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₀N₂O₄
Molecular Weight	304.34 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	104
Heavy Atom Count	22
Formal Charge	0
Complexity	697
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

LP-284