2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid

C10H14N2O5 — CID 10728842

IUPAC2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid
SMILESCC(C)CC1(CC(=O)O)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H14N2O5/c1-5(2)3-10(4-6(13)14)7(15)11-9(17)12-8(10)16/h5H,3-4H2,1-2H3,(H,13,14)(H2,11,12,15,16,17)
InChIKeyJDMVVAPLZMXBRZ-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.14
Rot. Bonds4

About 2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid

2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid (PubChem CID 10728842) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid
PubChem CID10728842
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid
SMILESCC(C)CC1(CC(=O)O)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H14N2O5/c1-5(2)3-10(4-6(13)14)7(15)11-9(17)12-8(10)16/h5H,3-4H2,1-2H3,(H,13,14)(H2,11,12,15,16,17)
InChIKeyJDMVVAPLZMXBRZ-UHFFFAOYSA-N
XLogP-0.14
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid?
The IUPAC name of 2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid (CID 10728842) is 2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid is CC(C)CC1(CC(=O)O)C(=O)NC(=O)NC1=O.
What is the InChIKey of 2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid?
The InChIKey is JDMVVAPLZMXBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-5(2)3-10(4-6(13)14)7(15)11-9(17)12-8(10)16/h5H,3-4H2,1-2H3,(H,13,14)(H2,11,12,15,16,17).
What are the key properties of 2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid?
2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid has a molecular weight of 242.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid is sourced from PubChem (CID 10728842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).