3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid

C16H29NO5 — CID 58330646

IUPAC3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid
SMILESCN1C(C)(C)CC(OCCC(=O)OCCC(=O)O)CC1(C)C
InChIInChI=1S/C16H29NO5/c1-15(2)10-12(11-16(3,4)17(15)5)21-9-7-14(20)22-8-6-13(18)19/h12H,6-11H2,1-5H3,(H,18,19)
InChIKeySPRDTPCZSQGJEW-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.06
Rot. Bonds7

About 3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid

3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid (PubChem CID 58330646) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid.

Molecular Properties

Compound Name3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid
PubChem CID58330646
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid
SMILESCN1C(C)(C)CC(OCCC(=O)OCCC(=O)O)CC1(C)C
InChIInChI=1S/C16H29NO5/c1-15(2)10-12(11-16(3,4)17(15)5)21-9-7-14(20)22-8-6-13(18)19/h12H,6-11H2,1-5H3,(H,18,19)
InChIKeySPRDTPCZSQGJEW-UHFFFAOYSA-N
XLogP2.06
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid?
The IUPAC name of 3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid (CID 58330646) is 3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid.
What is the SMILES notation for 3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid?
The canonical SMILES for 3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid is CN1C(C)(C)CC(OCCC(=O)OCCC(=O)O)CC1(C)C.
What is the InChIKey of 3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid?
The InChIKey is SPRDTPCZSQGJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5/c1-15(2)10-12(11-16(3,4)17(15)5)21-9-7-14(20)22-8-6-13(18)19/h12H,6-11H2,1-5H3,(H,18,19).
What are the key properties of 3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid?
3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid has a molecular weight of 315.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid is sourced from PubChem (CID 58330646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).