5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C9H13N3O5 — CID 107427626

IUPAC5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCN(CC(N)=O)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C9H13N3O5/c1-2-12(4-7(10)13)8(14)6-3-5(9(15)16)11-17-6/h6H,2-4H2,1H3,(H2,10,13)(H,15,16)
InChIKeyWGOFCZVCMUJLRF-UHFFFAOYSA-N
MW243.22 g/mol
LogP-1.45
Rot. Bonds5

About 5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427626) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427626
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCN(CC(N)=O)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C9H13N3O5/c1-2-12(4-7(10)13)8(14)6-3-5(9(15)16)11-17-6/h6H,2-4H2,1H3,(H2,10,13)(H,15,16)
InChIKeyWGOFCZVCMUJLRF-UHFFFAOYSA-N
XLogP-1.45
TPSA122.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427626) is 5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCN(CC(N)=O)C(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is WGOFCZVCMUJLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-2-12(4-7(10)13)8(14)6-3-5(9(15)16)11-17-6/h6H,2-4H2,1H3,(H2,10,13)(H,15,16).
What are the key properties of 5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of -1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).