2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid

C15H27N3O3 — CID 79842476

IUPAC2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
SMILESCCN1CCC(CNC(=O)NC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-18-8-4-12(5-9-18)11-16-14(21)17-15(6-3-7-15)10-13(19)20/h12H,2-11H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyNXEZFGVBUVCJEH-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.41
Rot. Bonds6

About 2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid

2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid (PubChem CID 79842476) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
PubChem CID79842476
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
SMILESCCN1CCC(CNC(=O)NC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-18-8-4-12(5-9-18)11-16-14(21)17-15(6-3-7-15)10-13(19)20/h12H,2-11H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyNXEZFGVBUVCJEH-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851850
2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79851384
2-[1-(thiolan-3-ylmethylcarbamoylamino)cyclohexyl]acetic acid
CID 107297576
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
3-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428663
3-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66165512
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 82014093
2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid
CID 114617990

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid (CID 79842476) is 2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid is CCN1CCC(CNC(=O)NC2(CC(=O)O)CCC2)CC1.
What is the InChIKey of 2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid?
The InChIKey is NXEZFGVBUVCJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-18-8-4-12(5-9-18)11-16-14(21)17-15(6-3-7-15)10-13(19)20/h12H,2-11H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid?
2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).