4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid

C8H9N3O5 — CID 62904536

IUPAC4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC(=O)Nc1cnoc1
InChIInChI=1S/C8H9N3O5/c12-6(1-2-7(13)14)11-8(15)10-5-3-9-16-4-5/h3-4H,1-2H2,(H,13,14)(H2,10,11,12,15)
InChIKeyJTRDBGHHYZGEBN-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.19
Rot. Bonds4

About 4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid

4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 62904536) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is 4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid
PubChem CID62904536
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC(=O)Nc1cnoc1
InChIInChI=1S/C8H9N3O5/c12-6(1-2-7(13)14)11-8(15)10-5-3-9-16-4-5/h3-4H,1-2H2,(H,13,14)(H2,10,11,12,15)
InChIKeyJTRDBGHHYZGEBN-UHFFFAOYSA-N
XLogP0.19
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-5-(1,2-oxazol-4-ylcarbamoylamino)-5-oxopentanoic acid
CID 62934624
3-methoxy-N-(1,2-oxazol-4-yl)propanamide
CID 130702486
3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid
CID 62904166
2-methoxy-N-(1,2-oxazol-4-yl)acetamide
CID 62415061
4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 28746271
4-[(3-bromo-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107584192
4-[(3-bromophenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746367
2-(ethylamino)-N-(1,2-oxazol-4-yl)acetamide
CID 62902215
4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid
CID 62329039
6-[(1-methylpyrazol-4-yl)carbamoylamino]-6-oxohexanoic acid
CID 43535239
4-[(4-bromo-3-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746010
6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 62903979

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid (CID 62904536) is 4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)NC(=O)Nc1cnoc1.
What is the InChIKey of 4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is JTRDBGHHYZGEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c12-6(1-2-7(13)14)11-8(15)10-5-3-9-16-4-5/h3-4H,1-2H2,(H,13,14)(H2,10,11,12,15).
What are the key properties of 4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid?
4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 227.18 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 62904536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).