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

C13H22N2O3 — CID 113467402

IUPAC2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCC1CC(NC(=O)N2CCCC(CC(=O)O)C2)C1
InChIInChI=1S/C13H22N2O3/c1-9-5-11(6-9)14-13(18)15-4-2-3-10(8-15)7-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyFAOXHSIJUIBAES-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds3

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

2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid (PubChem CID 113467402) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
PubChem CID113467402
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCC1CC(NC(=O)N2CCCC(CC(=O)O)C2)C1
InChIInChI=1S/C13H22N2O3/c1-9-5-11(6-9)14-13(18)15-4-2-3-10(8-15)7-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyFAOXHSIJUIBAES-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid
CID 64742546
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819
2-[1-(1-cyclopropylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691352
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63041940
2-[1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 113472935
3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide
CID 111508645

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid (CID 113467402) is 2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid is CC1CC(NC(=O)N2CCCC(CC(=O)O)C2)C1.
What is the InChIKey of 2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is FAOXHSIJUIBAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-5-11(6-9)14-13(18)15-4-2-3-10(8-15)7-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid?
2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 113467402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).