tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate

C19H29N5O6 — CID 90330246

IUPACtert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
SMILESCC1N(Cc2ncno2)C(=O)C12CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C19H29N5O6/c1-11(25)14(22-17(28)29-18(3,4)5)15(26)24-8-6-7-19(24)12(2)23(16(19)27)9-13-20-10-21-30-13/h10-12,14,25H,6-9H2,1-5H3,(H,22,28)/t11-,12?,14+,19?/m1/s1
InChIKeyYPDFPVLQZIGOQN-AKIUGDJFSA-N
MW423.47 g/mol
LogP0.44
Rot. Bonds5

About tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 90330246) has the molecular formula C19H29N5O6 and a molecular weight of 423.47 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
PubChem CID90330246
Molecular FormulaC19H29N5O6
Molecular Weight423.47 g/mol
Exact Mass423.21
IUPAC Nametert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
SMILESCC1N(Cc2ncno2)C(=O)C12CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C19H29N5O6/c1-11(25)14(22-17(28)29-18(3,4)5)15(26)24-8-6-7-19(24)12(2)23(16(19)27)9-13-20-10-21-30-13/h10-12,14,25H,6-9H2,1-5H3,(H,22,28)/t11-,12?,14+,19?/m1/s1
InChIKeyYPDFPVLQZIGOQN-AKIUGDJFSA-N
XLogP0.44
TPSA138.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate (CID 90330246) is tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate is CC1N(Cc2ncno2)C(=O)C12CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O.
What is the InChIKey of tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is YPDFPVLQZIGOQN-AKIUGDJFSA-N. The full InChI is InChI=1S/C19H29N5O6/c1-11(25)14(22-17(28)29-18(3,4)5)15(26)24-8-6-7-19(24)12(2)23(16(19)27)9-13-20-10-21-30-13/h10-12,14,25H,6-9H2,1-5H3,(H,22,28)/t11-,12?,14+,19?/m1/s1.
What are the key properties of tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 423.47 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-3-hydroxy-1-[1-methyl-2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 90330246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).