4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid

C9H11N3O5 — CID 16775012

IUPAC4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1oncc1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-4-5(3-11-17-4)8(14)12-6(9(15)16)2-7(10)13/h3,6H,2H2,1H3,(H2,10,13)(H,12,14)(H,15,16)
InChIKeyIFWVDWBAUKEIHP-UHFFFAOYSA-N
MW241.20 g/mol
LogP-0.96
Rot. Bonds5

About 4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid

4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 16775012) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid
PubChem CID16775012
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1oncc1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-4-5(3-11-17-4)8(14)12-6(9(15)16)2-7(10)13/h3,6H,2H2,1H3,(H2,10,13)(H,12,14)(H,15,16)
InChIKeyIFWVDWBAUKEIHP-UHFFFAOYSA-N
XLogP-0.96
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid (CID 16775012) is 4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid is Cc1oncc1C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is IFWVDWBAUKEIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-4-5(3-11-17-4)8(14)12-6(9(15)16)2-7(10)13/h3,6H,2H2,1H3,(H2,10,13)(H,12,14)(H,15,16).
What are the key properties of 4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid?
4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 241.20 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 16775012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).