3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid

C12H21NO5 — CID 63876507

IUPAC3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid
SMILESCC(C)OC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C12H21NO5/c1-9(2)18-12(16)13-6-3-10(4-7-13)17-8-5-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyIPQOPVXGLDNDTL-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.49
Rot. Bonds5

About 3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid

3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid (PubChem CID 63876507) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid.

Molecular Properties

Compound Name3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid
PubChem CID63876507
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid
SMILESCC(C)OC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C12H21NO5/c1-9(2)18-12(16)13-6-3-10(4-7-13)17-8-5-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyIPQOPVXGLDNDTL-UHFFFAOYSA-N
XLogP1.49
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid?
The IUPAC name of 3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid (CID 63876507) is 3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid.
What is the SMILES notation for 3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid?
The canonical SMILES for 3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid is CC(C)OC(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid?
The InChIKey is IPQOPVXGLDNDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-9(2)18-12(16)13-6-3-10(4-7-13)17-8-5-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid?
3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid has a molecular weight of 259.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypropanoic acid is sourced from PubChem (CID 63876507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).