2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid

C9H14N4O4 — CID 62687827

IUPAC2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C9H14N4O4/c1-3-4-9(2,8(15)16)11-7(14)5-6(10)13-17-12-5/h3-4H2,1-2H3,(H2,10,13)(H,11,14)(H,15,16)
InChIKeyZMPTZQBJPZETIO-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.03
Rot. Bonds5

About 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 62687827) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid
PubChem CID62687827
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C9H14N4O4/c1-3-4-9(2,8(15)16)11-7(14)5-6(10)13-17-12-5/h3-4H2,1-2H3,(H2,10,13)(H,11,14)(H,15,16)
InChIKeyZMPTZQBJPZETIO-UHFFFAOYSA-N
XLogP0.03
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid (CID 62687827) is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1nonc1N)C(=O)O.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is ZMPTZQBJPZETIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-3-4-9(2,8(15)16)11-7(14)5-6(10)13-17-12-5/h3-4H2,1-2H3,(H2,10,13)(H,11,14)(H,15,16).
What are the key properties of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid?
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 242.23 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 62687827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).