2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid

C15H26N2O3 — CID 79851776

IUPAC2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCC1(C)CCN(C(=O)NC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-3-14(2)7-9-17(10-8-14)13(20)16-15(5-4-6-15)11-12(18)19/h3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyKIXDLCGBWCGOSZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.61
Rot. Bonds4

About 2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79851776) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79851776
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCC1(C)CCN(C(=O)NC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-3-14(2)7-9-17(10-8-14)13(20)16-15(5-4-6-15)11-12(18)19/h3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyKIXDLCGBWCGOSZ-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79842703
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64700652
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690
2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid
CID 114411634
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid
CID 64700651
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid
CID 79851305

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid (CID 79851776) is 2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid is CCC1(C)CCN(C(=O)NC2(CC(=O)O)CCC2)CC1.
What is the InChIKey of 2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is KIXDLCGBWCGOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-14(2)7-9-17(10-8-14)13(20)16-15(5-4-6-15)11-12(18)19/h3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).