2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid

C13H24N2O4 — CID 79851151

IUPAC2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid
SMILESCCCC(COC)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H24N2O4/c1-3-5-10(9-19-2)14-12(18)15-13(6-4-7-13)8-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyWUKJZZIORHAODR-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.50
Rot. Bonds8

About 2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid

2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79851151) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79851151
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid
SMILESCCCC(COC)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H24N2O4/c1-3-5-10(9-19-2)14-12(18)15-13(6-4-7-13)8-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyWUKJZZIORHAODR-UHFFFAOYSA-N
XLogP1.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid
CID 79842245
2-(1-aminocyclohexyl)-N-(1-methoxypentan-2-yl)acetamide
CID 64677686
1-(1-methoxypentan-2-yl)-3-propylurea
CID 116656269
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263
2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 82939315
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 114131763
2-[1-(pent-1-yn-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 114161541

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid (CID 79851151) is 2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid is CCCC(COC)NC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is WUKJZZIORHAODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-5-10(9-19-2)14-12(18)15-13(6-4-7-13)8-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79851151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).