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

C11H16N4O5 — CID 107824867

IUPAC(2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H16N4O5/c16-5-3-7(11(18)19)13-9(17)8-14-10(20-15-8)6-2-1-4-12-6/h6-7,12,16H,1-5H2,(H,13,17)(H,18,19)/t6?,7-/m0/s1
InChIKeyGWJKBLHBRYDWKA-MLWJPKLSSA-N
MW284.27 g/mol
LogP-0.94
Rot. Bonds6

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

(2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (PubChem CID 107824867) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
PubChem CID107824867
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name(2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H16N4O5/c16-5-3-7(11(18)19)13-9(17)8-14-10(20-15-8)6-2-1-4-12-6/h6-7,12,16H,1-5H2,(H,13,17)(H,18,19)/t6?,7-/m0/s1
InChIKeyGWJKBLHBRYDWKA-MLWJPKLSSA-N
XLogP-0.94
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
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

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

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Related Compounds

4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742264
(2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107824666
(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742599
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 104970945
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872
N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742320
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
5-pyrrolidin-2-yl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 102742250
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742554

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (CID 107824867) is (2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is O=C(N[C@@H](CCO)C(=O)O)c1noc(C2CCCN2)n1.
What is the InChIKey of (2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The InChIKey is GWJKBLHBRYDWKA-MLWJPKLSSA-N. The full InChI is InChI=1S/C11H16N4O5/c16-5-3-7(11(18)19)13-9(17)8-14-10(20-15-8)6-2-1-4-12-6/h6-7,12,16H,1-5H2,(H,13,17)(H,18,19)/t6?,7-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
(2S)-4-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, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107824867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).