3-(4-cyclohexylbutanoylamino)propanoic acid

C13H23NO3 — CID 43241269

IUPAC3-(4-cyclohexylbutanoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)CCCC1CCCCC1
InChIInChI=1S/C13H23NO3/c15-12(14-10-9-13(16)17)8-4-7-11-5-2-1-3-6-11/h11H,1-10H2,(H,14,15)(H,16,17)
InChIKeyDWFMCGBKGCLTCV-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds7

About 3-(4-cyclohexylbutanoylamino)propanoic acid

3-(4-cyclohexylbutanoylamino)propanoic acid (PubChem CID 43241269) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(4-cyclohexylbutanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-cyclohexylbutanoylamino)propanoic acid
PubChem CID43241269
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-(4-cyclohexylbutanoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)CCCC1CCCCC1
InChIInChI=1S/C13H23NO3/c15-12(14-10-9-13(16)17)8-4-7-11-5-2-1-3-6-11/h11H,1-10H2,(H,14,15)(H,16,17)
InChIKeyDWFMCGBKGCLTCV-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
CID 70429171
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 66166053

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylbutanoylamino)propanoic acid?
The IUPAC name of 3-(4-cyclohexylbutanoylamino)propanoic acid (CID 43241269) is 3-(4-cyclohexylbutanoylamino)propanoic acid.
What is the SMILES notation for 3-(4-cyclohexylbutanoylamino)propanoic acid?
The canonical SMILES for 3-(4-cyclohexylbutanoylamino)propanoic acid is O=C(O)CCNC(=O)CCCC1CCCCC1.
What is the InChIKey of 3-(4-cyclohexylbutanoylamino)propanoic acid?
The InChIKey is DWFMCGBKGCLTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12(14-10-9-13(16)17)8-4-7-11-5-2-1-3-6-11/h11H,1-10H2,(H,14,15)(H,16,17).
What are the key properties of 3-(4-cyclohexylbutanoylamino)propanoic acid?
3-(4-cyclohexylbutanoylamino)propanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylbutanoylamino)propanoic acid is sourced from PubChem (CID 43241269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).