5-(cyclobutylcarbamoylamino)hexanoic acid

C11H20N2O3 — CID 82848345

IUPAC5-(cyclobutylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NC1CCC1
InChIInChI=1S/C11H20N2O3/c1-8(4-2-7-10(14)15)12-11(16)13-9-5-3-6-9/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyIWHOGSGINZYTRA-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.48
Rot. Bonds6

About 5-(cyclobutylcarbamoylamino)hexanoic acid

5-(cyclobutylcarbamoylamino)hexanoic acid (PubChem CID 82848345) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-(cyclobutylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(cyclobutylcarbamoylamino)hexanoic acid
PubChem CID82848345
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name5-(cyclobutylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NC1CCC1
InChIInChI=1S/C11H20N2O3/c1-8(4-2-7-10(14)15)12-11(16)13-9-5-3-6-9/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyIWHOGSGINZYTRA-UHFFFAOYSA-N
XLogP1.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(oxan-4-ylcarbamoylamino)hexanoic acid
CID 82844829
(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
CID 107838293
5-(cyclobutylmethylcarbamoylamino)hexanoic acid
CID 82846581
1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea
CID 104854890
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
1-(4-aminopentan-2-yl)-3-cyclobutylurea
CID 116658905
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid
CID 114241226
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
5-(3-ethylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848932

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylcarbamoylamino)hexanoic acid?
The IUPAC name of 5-(cyclobutylcarbamoylamino)hexanoic acid (CID 82848345) is 5-(cyclobutylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5-(cyclobutylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5-(cyclobutylcarbamoylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)NC1CCC1.
What is the InChIKey of 5-(cyclobutylcarbamoylamino)hexanoic acid?
The InChIKey is IWHOGSGINZYTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(4-2-7-10(14)15)12-11(16)13-9-5-3-6-9/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 5-(cyclobutylcarbamoylamino)hexanoic acid?
5-(cyclobutylcarbamoylamino)hexanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 82848345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).