2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid

C15H25NO3 — CID 115686502

IUPAC2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCC2CCC2)CCCC1
InChIInChI=1S/C15H25NO3/c17-13(16-9-6-12-4-3-5-12)10-15(11-14(18)19)7-1-2-8-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeyYYVNSXLCKOGMGF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds7

About 2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 115686502) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID115686502
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCC2CCC2)CCCC1
InChIInChI=1S/C15H25NO3/c17-13(16-9-6-12-4-3-5-12)10-15(11-14(18)19)7-1-2-8-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeyYYVNSXLCKOGMGF-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-(1-aminocyclohexyl)-N-(2-cyclohexylethyl)acetamide
CID 64683670
2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106305125
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859
2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106234667
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071499
2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61072039
2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid
CID 81164040
2-chloro-N-(2-cyclobutylethyl)acetamide
CID 115879965
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 115686502) is 2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCCC2CCC2)CCCC1.
What is the InChIKey of 2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is YYVNSXLCKOGMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-13(16-9-6-12-4-3-5-12)10-15(11-14(18)19)7-1-2-8-15/h12H,1-11H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 115686502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).