3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid

C14H23NO5 — CID 81325178

IUPAC3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESCC1CCC(C(=O)N2CCC(OCCC(=O)O)CC2)O1
InChIInChI=1S/C14H23NO5/c1-10-2-3-12(20-10)14(18)15-7-4-11(5-8-15)19-9-6-13(16)17/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyUMZBKSZSFPXZFN-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.04
Rot. Bonds5

About 3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid

3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 81325178) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid
PubChem CID81325178
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESCC1CCC(C(=O)N2CCC(OCCC(=O)O)CC2)O1
InChIInChI=1S/C14H23NO5/c1-10-2-3-12(20-10)14(18)15-7-4-11(5-8-15)19-9-6-13(16)17/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyUMZBKSZSFPXZFN-UHFFFAOYSA-N
XLogP1.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104855710
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 55251756
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085
3-[1-[(2R)-piperidine-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104913988
3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid
CID 79022757
3-[1-(3-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63876697
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid (CID 81325178) is 3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid is CC1CCC(C(=O)N2CCC(OCCC(=O)O)CC2)O1.
What is the InChIKey of 3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is UMZBKSZSFPXZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-10-2-3-12(20-10)14(18)15-7-4-11(5-8-15)19-9-6-13(16)17/h10-12H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 285.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 81325178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).