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

C11H15N5O5 — CID 107824666

IUPAC(2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESNC(=O)C[C@H](NC(=O)c1noc(C2CCCN2)n1)C(=O)O
InChIInChI=1S/C11H15N5O5/c12-7(17)4-6(11(19)20)14-9(18)8-15-10(21-16-8)5-2-1-3-13-5/h5-6,13H,1-4H2,(H2,12,17)(H,14,18)(H,19,20)/t5?,6-/m0/s1
InChIKeyVWVHMBMDJRFQGF-GDVGLLTNSA-N
MW297.27 g/mol
LogP-1.45
Rot. Bonds6

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

(2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (PubChem CID 107824666) has the molecular formula C11H15N5O5 and a molecular weight of 297.27 g/mol. Its IUPAC name is (2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
PubChem CID107824666
Molecular FormulaC11H15N5O5
Molecular Weight297.27 g/mol
Exact Mass297.11
IUPAC Name(2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESNC(=O)C[C@H](NC(=O)c1noc(C2CCCN2)n1)C(=O)O
InChIInChI=1S/C11H15N5O5/c12-7(17)4-6(11(19)20)14-9(18)8-15-10(21-16-8)5-2-1-3-13-5/h5-6,13H,1-4H2,(H2,12,17)(H,14,18)(H,19,20)/t5?,6-/m0/s1
InChIKeyVWVHMBMDJRFQGF-GDVGLLTNSA-N
XLogP-1.45
TPSA160.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107824867
4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742264
3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
CID 102742476
methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 104970945
(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
5-pyrrolidin-2-yl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 102742250
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 107222801

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (CID 107824666) is (2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is NC(=O)C[C@H](NC(=O)c1noc(C2CCCN2)n1)C(=O)O.
What is the InChIKey of (2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The InChIKey is VWVHMBMDJRFQGF-GDVGLLTNSA-N. The full InChI is InChI=1S/C11H15N5O5/c12-7(17)4-6(11(19)20)14-9(18)8-15-10(21-16-8)5-2-1-3-13-5/h5-6,13H,1-4H2,(H2,12,17)(H,14,18)(H,19,20)/t5?,6-/m0/s1.
What are the key properties of (2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
(2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid has a molecular weight of 297.27 g/mol, XLogP of -1.45, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107824666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).