5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H15N3O5 — CID 107426890

IUPAC5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H15N3O5/c1-3-13(5-8(14)11-2)9(15)7-4-6(10(16)17)12-18-7/h7H,3-5H2,1-2H3,(H,11,14)(H,16,17)
InChIKeyDQTITKVYWDIINM-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.19
Rot. Bonds5

About 5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426890) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426890
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H15N3O5/c1-3-13(5-8(14)11-2)9(15)7-4-6(10(16)17)12-18-7/h7H,3-5H2,1-2H3,(H,11,14)(H,16,17)
InChIKeyDQTITKVYWDIINM-UHFFFAOYSA-N
XLogP-1.19
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426890) is 5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCN(CC(=O)NC)C(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is DQTITKVYWDIINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-3-13(5-8(14)11-2)9(15)7-4-6(10(16)17)12-18-7/h7H,3-5H2,1-2H3,(H,11,14)(H,16,17).
What are the key properties of 5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of -1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).