(1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate

C10H16N2O4 — CID 155406449

IUPAC(1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate
SMILESCCN1CCC(OC(=O)C2CC2)N(O)C1=O
InChIInChI=1S/C10H16N2O4/c1-2-11-6-5-8(12(15)10(11)14)16-9(13)7-3-4-7/h7-8,15H,2-6H2,1H3
InChIKeyKYSRYCNOTRHMFT-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.80
Rot. Bonds3

About (1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate

(1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate (PubChem CID 155406449) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate
PubChem CID155406449
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate
SMILESCCN1CCC(OC(=O)C2CC2)N(O)C1=O
InChIInChI=1S/C10H16N2O4/c1-2-11-6-5-8(12(15)10(11)14)16-9(13)7-3-4-7/h7-8,15H,2-6H2,1H3
InChIKeyKYSRYCNOTRHMFT-UHFFFAOYSA-N
XLogP0.80
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate?
The IUPAC name of (1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate (CID 155406449) is (1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate.
What is the SMILES notation for (1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate?
The canonical SMILES for (1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate is CCN1CCC(OC(=O)C2CC2)N(O)C1=O.
What is the InChIKey of (1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate?
The InChIKey is KYSRYCNOTRHMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-11-6-5-8(12(15)10(11)14)16-9(13)7-3-4-7/h7-8,15H,2-6H2,1H3.
What are the key properties of (1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate?
(1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate has a molecular weight of 228.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate is sourced from PubChem (CID 155406449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).