(2R,3S)-3-Hydroxy-2-[(4S)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide

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(2R,3S)-3-Hydroxy-2-[(4S)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide

Also known as: 2012536-16-0

Molecular Formula

C₁₄H₂₃N₃O₄

Molecular Weight

297.35 g/mol

InChI Key

NFXPEHLDVKVVKA-RBZYPMLTSA-N

1 2D Structure

(2R,3S)-3-Hydroxy-2-[(4S)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3S)-3-hydroxy-2-[(4S)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide

2.1.2 InChI

InChI=1S/C14H23N3O4/c1-8(2)12(20)17-6-4-5-14(17)7-16(13(14)21)10(9(3)18)11(15)19/h8-10,18H,4-7H2,1-3H3,(H2,15,19)/t9-,10+,14-/m0/s1

2.1.3 InChI Key

NFXPEHLDVKVVKA-RBZYPMLTSA-N

2.1.4 Canonical SMILES

CC(C)C(=O)N1CCCC12CN(C2=O)C(C(C)O)C(=O)N

2.1.5 Isomeric SMILES

C[C@@H]([C@H](C(=O)N)N1C[C@]2(C1=O)CCCN2C(=O)C(C)C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2012536-16-0

2.3 Create Date

2018-10-17

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₃N₃O₄
Molecular Weight	297.35 g/mol
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	297.16885622 g/mol
Monoisotopic Mass	297.16885622 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1