2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid

C13H22N2O4 — CID 79845890

IUPAC2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NC2CCC(O)CC2)CCC1
InChIInChI=1S/C13H22N2O4/c16-10-4-2-9(3-5-10)14-12(19)15-13(6-1-7-13)8-11(17)18/h9-10,16H,1-8H2,(H,17,18)(H2,14,15,19)
InChIKeyZKOCUFAYGWCQGE-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.99
Rot. Bonds4

About 2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid

2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid (PubChem CID 79845890) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid
PubChem CID79845890
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NC2CCC(O)CC2)CCC1
InChIInChI=1S/C13H22N2O4/c16-10-4-2-9(3-5-10)14-12(19)15-13(6-1-7-13)8-11(17)18/h9-10,16H,1-8H2,(H,17,18)(H2,14,15,19)
InChIKeyZKOCUFAYGWCQGE-UHFFFAOYSA-N
XLogP0.99
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699
2-[1-[(4-methylcyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845568
2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid
CID 114548722
2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79845778
1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea
CID 109394253
2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid
CID 64699503
2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid
CID 82729085
1-cyclobutyl-3-(1-ethylcyclobutyl)urea
CID 115673198
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid
CID 106216540

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid (CID 79845890) is 2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)NC2CCC(O)CC2)CCC1.
What is the InChIKey of 2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid?
The InChIKey is ZKOCUFAYGWCQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-10-4-2-9(3-5-10)14-12(19)15-13(6-1-7-13)8-11(17)18/h9-10,16H,1-8H2,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid?
2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).