[(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid

C14H19N5O6 — CID 135146421

IUPAC[(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid
SMILESC[C@@H](O)[C@H](NC(=O)O)C(=O)N1CCCC12CN(Cc1nnco1)C2=O
InChIInChI=1S/C14H19N5O6/c1-8(20)10(16-13(23)24)11(21)19-4-2-3-14(19)6-18(12(14)22)5-9-17-15-7-25-9/h7-8,10,16,20H,2-6H2,1H3,(H,23,24)/t8-,10+,14?/m1/s1
InChIKeyHEDIZHYVNHSDBV-DWMNJQRDSA-N
MW353.34 g/mol
LogP-1.21
Rot. Bonds5

About [(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid

[(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid (PubChem CID 135146421) has the molecular formula C14H19N5O6 and a molecular weight of 353.34 g/mol. Its IUPAC name is [(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid
PubChem CID135146421
Molecular FormulaC14H19N5O6
Molecular Weight353.34 g/mol
Exact Mass353.13
IUPAC Name[(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid
SMILESC[C@@H](O)[C@H](NC(=O)O)C(=O)N1CCCC12CN(Cc1nnco1)C2=O
InChIInChI=1S/C14H19N5O6/c1-8(20)10(16-13(23)24)11(21)19-4-2-3-14(19)6-18(12(14)22)5-9-17-15-7-25-9/h7-8,10,16,20H,2-6H2,1H3,(H,23,24)/t8-,10+,14?/m1/s1
InChIKeyHEDIZHYVNHSDBV-DWMNJQRDSA-N
XLogP-1.21
TPSA149.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid (CID 135146421) is [(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid is C[C@@H](O)[C@H](NC(=O)O)C(=O)N1CCCC12CN(Cc1nnco1)C2=O.
What is the InChIKey of [(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid?
The InChIKey is HEDIZHYVNHSDBV-DWMNJQRDSA-N. The full InChI is InChI=1S/C14H19N5O6/c1-8(20)10(16-13(23)24)11(21)19-4-2-3-14(19)6-18(12(14)22)5-9-17-15-7-25-9/h7-8,10,16,20H,2-6H2,1H3,(H,23,24)/t8-,10+,14?/m1/s1.
What are the key properties of [(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid?
[(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid has a molecular weight of 353.34 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 135146421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).