3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid

C13H21NO4 — CID 117011303

IUPAC3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid
SMILESO=C(O)CCC1CCOC(=O)N1C1CCCCC1
InChIInChI=1S/C13H21NO4/c15-12(16)7-6-11-8-9-18-13(17)14(11)10-4-2-1-3-5-10/h10-11H,1-9H2,(H,15,16)
InChIKeyCPZVWOSDRQKPEC-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.39
Rot. Bonds4

About 3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid

3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid (PubChem CID 117011303) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid
PubChem CID117011303
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid
SMILESO=C(O)CCC1CCOC(=O)N1C1CCCCC1
InChIInChI=1S/C13H21NO4/c15-12(16)7-6-11-8-9-18-13(17)14(11)10-4-2-1-3-5-10/h10-11H,1-9H2,(H,15,16)
InChIKeyCPZVWOSDRQKPEC-UHFFFAOYSA-N
XLogP2.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
CID 117011111
3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid
CID 117011208
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435
3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
CID 117011098
3-(2-oxooxan-4-yl)propanoic acid
CID 177019128
3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid
CID 62216172
2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid
CID 117011235
3-(4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizin-3-yl)propanoic acid
CID 70439324
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
CID 79894201
3-[(1R)-2-oxocyclododecyl]propanoic acid
CID 7018981
2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid
CID 117011247

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid?
The IUPAC name of 3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid (CID 117011303) is 3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid.
What is the SMILES notation for 3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid?
The canonical SMILES for 3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid is O=C(O)CCC1CCOC(=O)N1C1CCCCC1.
What is the InChIKey of 3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid?
The InChIKey is CPZVWOSDRQKPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(16)7-6-11-8-9-18-13(17)14(11)10-4-2-1-3-5-10/h10-11H,1-9H2,(H,15,16).
What are the key properties of 3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid?
3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid has a molecular weight of 255.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid is sourced from PubChem (CID 117011303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).