4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid

C10H14N2O4 — CID 175958266

IUPAC4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid
SMILESCc1cc(CCNC(=O)CCC(=O)O)on1
InChIInChI=1S/C10H14N2O4/c1-7-6-8(16-12-7)4-5-11-9(13)2-3-10(14)15/h6H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyYHVXVDWTCRMKOL-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.51
Rot. Bonds6

About 4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid

4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid (PubChem CID 175958266) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid
PubChem CID175958266
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid
SMILESCc1cc(CCNC(=O)CCC(=O)O)on1
InChIInChI=1S/C10H14N2O4/c1-7-6-8(16-12-7)4-5-11-9(13)2-3-10(14)15/h6H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyYHVXVDWTCRMKOL-UHFFFAOYSA-N
XLogP0.51
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71789714
2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537585
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537604
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537739
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 90537660
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiadiazole-5-carboxamide
CID 90537705
4-(dimethylamino)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537724
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 71789691
2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537631
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide
CID 121016619
5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123826

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid (CID 175958266) is 4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid is Cc1cc(CCNC(=O)CCC(=O)O)on1.
What is the InChIKey of 4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid?
The InChIKey is YHVXVDWTCRMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-6-8(16-12-7)4-5-11-9(13)2-3-10(14)15/h6H,2-5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid?
4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 175958266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).