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

C13H22N2O3 — CID 113485792

IUPAC2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCC1(NC(=O)N2CCCCC2CC(=O)O)CCC1
InChIInChI=1S/C13H22N2O3/c1-13(6-4-7-13)14-12(18)15-8-3-2-5-10(15)9-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyQQGAQCLLMLWFPB-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.97
Rot. Bonds3

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

2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 113485792) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID113485792
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCC1(NC(=O)N2CCCCC2CC(=O)O)CCC1
InChIInChI=1S/C13H22N2O3/c1-13(6-4-7-13)14-12(18)15-8-3-2-5-10(15)9-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyQQGAQCLLMLWFPB-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid
CID 113466834
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 79350157
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 106346761
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 61465499
2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 82728335
(2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922600

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid (CID 113485792) is 2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid is CC1(NC(=O)N2CCCCC2CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is QQGAQCLLMLWFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(6-4-7-13)14-12(18)15-8-3-2-5-10(15)9-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 113485792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).