4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid

C9H12N2O4 — CID 110835484

IUPAC4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cnco1
InChIInChI=1S/C9H12N2O4/c1-11(4-2-3-8(12)13)9(14)7-5-10-6-15-7/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyAYTPFOMFZYGRIT-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.61
Rot. Bonds5

About 4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid

4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 110835484) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID110835484
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cnco1
InChIInChI=1S/C9H12N2O4/c1-11(4-2-3-8(12)13)9(14)7-5-10-6-15-7/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyAYTPFOMFZYGRIT-UHFFFAOYSA-N
XLogP0.61
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid (CID 110835484) is 4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cnco1.
What is the InChIKey of 4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is AYTPFOMFZYGRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-11(4-2-3-8(12)13)9(14)7-5-10-6-15-7/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid?
4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 212.21 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110835484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).