4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid

C13H22N2O4 — CID 122023782

IUPAC4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCC(C(=O)O)CC1)C1CC(O)C1
InChIInChI=1S/C13H22N2O4/c1-15(10-6-11(16)7-10)13(19)14-9-4-2-8(3-5-9)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyQUMBXXUPDLDARQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.79
Rot. Bonds3

About 4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122023782) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122023782
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCC(C(=O)O)CC1)C1CC(O)C1
InChIInChI=1S/C13H22N2O4/c1-15(10-6-11(16)7-10)13(19)14-9-4-2-8(3-5-9)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyQUMBXXUPDLDARQ-UHFFFAOYSA-N
XLogP0.79
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024515
4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61203490
4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024286
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043737
3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030447
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202146
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042287
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63700992
4-[bis(2,2-dimethylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023696

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122023782) is 4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid is CN(C(=O)NC1CCC(C(=O)O)CC1)C1CC(O)C1.
What is the InChIKey of 4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QUMBXXUPDLDARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-15(10-6-11(16)7-10)13(19)14-9-4-2-8(3-5-9)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).