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

C12H18N4O5 — CID 102742264

IUPAC4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1noc(C2CCCN2)n1)C(=O)O
InChIInChI=1S/C12H18N4O5/c1-20-6-4-8(12(18)19)14-10(17)9-15-11(21-16-9)7-3-2-5-13-7/h7-8,13H,2-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyPYVFNFGFTNLGDM-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.29
Rot. Bonds7

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

4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (PubChem CID 102742264) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
PubChem CID102742264
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Name4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1noc(C2CCCN2)n1)C(=O)O
InChIInChI=1S/C12H18N4O5/c1-20-6-4-8(12(18)19)14-10(17)9-15-11(21-16-9)7-3-2-5-13-7/h7-8,13H,2-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyPYVFNFGFTNLGDM-UHFFFAOYSA-N
XLogP-0.29
TPSA126.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-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
(2S)-4-amino-4-oxo-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107824666
N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742320
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
3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
CID 102742476
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
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872
methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 107222801
N-cyclopropyl-N-(2-methoxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970930
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (CID 102742264) is 4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is COCCC(NC(=O)c1noc(C2CCCN2)n1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The InChIKey is PYVFNFGFTNLGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-20-6-4-8(12(18)19)14-10(17)9-15-11(21-16-9)7-3-2-5-13-7/h7-8,13H,2-6H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid has a molecular weight of 298.30 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 102742264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).