[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate

C14H21N3O5 — CID 142604179

IUPAC[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1CCC(n2ccc(NO)nc2=O)O1
InChIInChI=1S/C14H21N3O5/c1-14(2,3)12(18)21-8-9-4-5-11(22-9)17-7-6-10(16-20)15-13(17)19/h6-7,9,11,20H,4-5,8H2,1-3H3,(H,15,16,19)
InChIKeyNYLHBFDHHDXIEC-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.31
Rot. Bonds4

About [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate

[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 142604179) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID142604179
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1CCC(n2ccc(NO)nc2=O)O1
InChIInChI=1S/C14H21N3O5/c1-14(2,3)12(18)21-8-9-4-5-11(22-9)17-7-6-10(16-20)15-13(17)19/h6-7,9,11,20H,4-5,8H2,1-3H3,(H,15,16,19)
InChIKeyNYLHBFDHHDXIEC-UHFFFAOYSA-N
XLogP1.31
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 142604179) is [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC1CCC(n2ccc(NO)nc2=O)O1.
What is the InChIKey of [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is NYLHBFDHHDXIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-14(2,3)12(18)21-8-9-4-5-11(22-9)17-7-6-10(16-20)15-13(17)19/h6-7,9,11,20H,4-5,8H2,1-3H3,(H,15,16,19).
What are the key properties of [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate?
[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 311.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 142604179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).