2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid

C13H22N2O4 — CID 82728335

IUPAC2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCC1OCCC1NC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-9-11(5-7-19-9)14-13(18)15-6-3-2-4-10(15)8-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyBDNCWBYSMISPLP-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.20
Rot. Bonds3

About 2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 82728335) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID82728335
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCC1OCCC1NC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-9-11(5-7-19-9)14-13(18)15-6-3-2-4-10(15)8-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyBDNCWBYSMISPLP-UHFFFAOYSA-N
XLogP1.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114106684
2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 61465499
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
N-(2-methyloxolan-3-yl)azetidine-1-carboxamide
CID 126999523
2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
CID 113485792
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61370399
1-[(2-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 82727888
4-methyl-N-(2-methyloxolan-3-yl)piperidine-1-carboxamide
CID 115869158

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid (CID 82728335) is 2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid is CC1OCCC1NC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is BDNCWBYSMISPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-11(5-7-19-9)14-13(18)15-6-3-2-4-10(15)8-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 82728335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).