3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid

C13H23NO5 — CID 55251756

IUPAC3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
SMILESCC(C)COC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H23NO5/c1-10(2)9-19-13(17)14-6-3-11(4-7-14)18-8-5-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyXMXWFEHGEOKYRL-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.73
Rot. Bonds6

About 3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid

3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 55251756) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
PubChem CID55251756
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
SMILESCC(C)COC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H23NO5/c1-10(2)9-19-13(17)14-6-3-11(4-7-14)18-8-5-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyXMXWFEHGEOKYRL-UHFFFAOYSA-N
XLogP1.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid
CID 79022757
3-[1-(2-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 104517631
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 81325178
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 171072871

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid (CID 55251756) is 3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid is CC(C)COC(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is XMXWFEHGEOKYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-10(2)9-19-13(17)14-6-3-11(4-7-14)18-8-5-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 273.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 55251756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).