(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid

C11H16N4O5 — CID 102742599

IUPAC(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)c1noc(C2CCCN2)n1)C(=O)O
InChIInChI=1S/C11H16N4O5/c1-5(16)7(11(18)19)13-9(17)8-14-10(20-15-8)6-3-2-4-12-6/h5-7,12,16H,2-4H2,1H3,(H,13,17)(H,18,19)/t5-,6?,7+/m1/s1
InChIKeyXYDBNAFEGMZMBG-UYMSWOSGSA-N
MW284.27 g/mol
LogP-0.94
Rot. Bonds5

About (2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid

(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (PubChem CID 102742599) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
PubChem CID102742599
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)c1noc(C2CCCN2)n1)C(=O)O
InChIInChI=1S/C11H16N4O5/c1-5(16)7(11(18)19)13-9(17)8-14-10(20-15-8)6-3-2-4-12-6/h5-7,12,16H,2-4H2,1H3,(H,13,17)(H,18,19)/t5-,6?,7+/m1/s1
InChIKeyXYDBNAFEGMZMBG-UYMSWOSGSA-N
XLogP-0.94
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (CID 102742599) is (2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is C[C@@H](O)[C@H](NC(=O)c1noc(C2CCCN2)n1)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The InChIKey is XYDBNAFEGMZMBG-UYMSWOSGSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-5(16)7(11(18)19)13-9(17)8-14-10(20-15-8)6-3-2-4-12-6/h5-7,12,16H,2-4H2,1H3,(H,13,17)(H,18,19)/t5-,6?,7+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid has a molecular weight of 284.27 g/mol, XLogP of -0.94, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 102742599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).