2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid

C15H26N2O3 — CID 79851852

IUPAC2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
SMILESCC(NC(=O)NC1(CC(=O)O)CCC1)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11(12-6-3-2-4-7-12)16-14(20)17-15(8-5-9-15)10-13(18)19/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHEOACHPOJLLZNM-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.65
Rot. Bonds5

About 2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid

2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79851852) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79851852
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
SMILESCC(NC(=O)NC1(CC(=O)O)CCC1)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11(12-6-3-2-4-7-12)16-14(20)17-15(8-5-9-15)10-13(18)19/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHEOACHPOJLLZNM-UHFFFAOYSA-N
XLogP2.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64700065
2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 114131763
2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 82939315
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263
2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-[(4-methylcyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845568
2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851533
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid (CID 79851852) is 2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid is CC(NC(=O)NC1(CC(=O)O)CCC1)C1CCCCC1.
What is the InChIKey of 2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is HEOACHPOJLLZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(12-6-3-2-4-7-12)16-14(20)17-15(8-5-9-15)10-13(18)19/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79851852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).