3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid

C12H19NO4 — CID 117011208

IUPAC3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid
SMILESO=C(O)CCC1COC(=O)N(C2CCCC2)C1
InChIInChI=1S/C12H19NO4/c14-11(15)6-5-9-7-13(12(16)17-8-9)10-3-1-2-4-10/h9-10H,1-8H2,(H,14,15)
InChIKeyYHIGBQLUIZBXKJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.86
Rot. Bonds4

About 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid

3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid (PubChem CID 117011208) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid
PubChem CID117011208
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid
SMILESO=C(O)CCC1COC(=O)N(C2CCCC2)C1
InChIInChI=1S/C12H19NO4/c14-11(15)6-5-9-7-13(12(16)17-8-9)10-3-1-2-4-10/h9-10H,1-8H2,(H,14,15)
InChIKeyYHIGBQLUIZBXKJ-UHFFFAOYSA-N
XLogP1.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-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-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011500
5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one
CID 117002390
3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid
CID 117011202
3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
CID 117011098
3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
CID 117011111
3-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]propanoic acid
CID 115044157
3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid
CID 117011303
3-(4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizin-3-yl)propanoic acid
CID 70439324
2-(3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 115059970
3-(1-cyclooctylpiperidin-3-yl)propanoic acid
CID 65071973
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
3-(2-oxooxan-4-yl)propanoic acid
CID 177019128

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid?
The IUPAC name of 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid (CID 117011208) is 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid?
The canonical SMILES for 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid is O=C(O)CCC1COC(=O)N(C2CCCC2)C1.
What is the InChIKey of 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid?
The InChIKey is YHIGBQLUIZBXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(15)6-5-9-7-13(12(16)17-8-9)10-3-1-2-4-10/h9-10H,1-8H2,(H,14,15).
What are the key properties of 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid?
3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid is sourced from PubChem (CID 117011208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).