2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid

C9H13NO4 — CID 117011037

IUPAC2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid
SMILESO=C(O)CC1CCN(C2CC2)C(=O)O1
InChIInChI=1S/C9H13NO4/c11-8(12)5-7-3-4-10(6-1-2-6)9(13)14-7/h6-7H,1-5H2,(H,11,12)
InChIKeyQUWUSUCZJGDUSG-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.83
Rot. Bonds3

About 2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid

2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid (PubChem CID 117011037) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid
PubChem CID117011037
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid
SMILESO=C(O)CC1CCN(C2CC2)C(=O)O1
InChIInChI=1S/C9H13NO4/c11-8(12)5-7-3-4-10(6-1-2-6)9(13)14-7/h6-7H,1-5H2,(H,11,12)
InChIKeyQUWUSUCZJGDUSG-UHFFFAOYSA-N
XLogP0.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid (CID 117011037) is 2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid is O=C(O)CC1CCN(C2CC2)C(=O)O1.
What is the InChIKey of 2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid?
The InChIKey is QUWUSUCZJGDUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-8(12)5-7-3-4-10(6-1-2-6)9(13)14-7/h6-7H,1-5H2,(H,11,12).
What are the key properties of 2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid?
2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid has a molecular weight of 199.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid is sourced from PubChem (CID 117011037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).