2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid

C13H22N2O3 — CID 79846171

IUPAC2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC2CCNCC2)CCC1
InChIInChI=1S/C13H22N2O3/c16-11(8-10-2-6-14-7-3-10)15-13(4-1-5-13)9-12(17)18/h10,14H,1-9H2,(H,15,16)(H,17,18)
InChIKeyLSWPSPOFKHLRRK-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.89
Rot. Bonds5

About 2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid

2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid (PubChem CID 79846171) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid
PubChem CID79846171
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC2CCNCC2)CCC1
InChIInChI=1S/C13H22N2O3/c16-11(8-10-2-6-14-7-3-10)15-13(4-1-5-13)9-12(17)18/h10,14H,1-9H2,(H,15,16)(H,17,18)
InChIKeyLSWPSPOFKHLRRK-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
CID 79845652
N-[1-(hydroxymethyl)cyclohexyl]-2-piperidin-4-ylacetamide
CID 62551511
2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid
CID 64702108
N-(1-methylcyclopropyl)-2-piperidin-4-ylacetamide
CID 115739550
2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid
CID 80522088
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
2-[1-[[(3S)-piperidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 81133872
2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid
CID 64683313
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid (CID 79846171) is 2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CC2CCNCC2)CCC1.
What is the InChIKey of 2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid?
The InChIKey is LSWPSPOFKHLRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-11(8-10-2-6-14-7-3-10)15-13(4-1-5-13)9-12(17)18/h10,14H,1-9H2,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).