3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid

C10H17NO4 — CID 81073507

IUPAC3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid
SMILESCCC(CC(=O)O)CN1CCCOC1=O
InChIInChI=1S/C10H17NO4/c1-2-8(6-9(12)13)7-11-4-3-5-15-10(11)14/h8H,2-7H2,1H3,(H,12,13)
InChIKeyLFEHILMMMDMBGF-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds5

About 3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid

3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid (PubChem CID 81073507) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid
PubChem CID81073507
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid
SMILESCCC(CC(=O)O)CN1CCCOC1=O
InChIInChI=1S/C10H17NO4/c1-2-8(6-9(12)13)7-11-4-3-5-15-10(11)14/h8H,2-7H2,1H3,(H,12,13)
InChIKeyLFEHILMMMDMBGF-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid?
The IUPAC name of 3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid (CID 81073507) is 3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid.
What is the SMILES notation for 3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid?
The canonical SMILES for 3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid is CCC(CC(=O)O)CN1CCCOC1=O.
What is the InChIKey of 3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid?
The InChIKey is LFEHILMMMDMBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-8(6-9(12)13)7-11-4-3-5-15-10(11)14/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid?
3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid has a molecular weight of 215.25 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid is sourced from PubChem (CID 81073507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).