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

C9H14N4O4 — CID 55103519

IUPAC2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C9H14N4O4/c1-4(2)3-5(9(15)16)11-8(14)6-7(10)13-17-12-6/h4-5H,3H2,1-2H3,(H2,10,13)(H,11,14)(H,15,16)
InChIKeyHQWSPLVFEKAIIQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.12
Rot. Bonds5

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

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 55103519) has the molecular formula C9H14N4O4 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID55103519
Molecular FormulaC9H14N4O4
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C9H14N4O4/c1-4(2)3-5(9(15)16)11-8(14)6-7(10)13-17-12-6/h4-5H,3H2,1-2H3,(H2,10,13)(H,11,14)(H,15,16)
InChIKeyHQWSPLVFEKAIIQ-UHFFFAOYSA-N
XLogP-0.12
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.12
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]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-methylpentanoic acid (CID 55103519) is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1nonc1N)C(=O)O.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is HQWSPLVFEKAIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-4(2)3-5(9(15)16)11-8(14)6-7(10)13-17-12-6/h4-5H,3H2,1-2H3,(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]-4-methylpentanoic acid?
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 242.24 g/mol, XLogP of -0.12, 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]-4-methylpentanoic acid is sourced from PubChem (CID 55103519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).