7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid

C15H27NO4 — CID 103161750

IUPAC7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid
SMILESCCOC1CC(CC(=O)NCCCCCCC(=O)O)C1
InChIInChI=1S/C15H27NO4/c1-2-20-13-9-12(10-13)11-14(17)16-8-6-4-3-5-7-15(18)19/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyZLUHJJUEURNFHG-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.34
Rot. Bonds11

About 7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid

7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid (PubChem CID 103161750) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid
PubChem CID103161750
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid
SMILESCCOC1CC(CC(=O)NCCCCCCC(=O)O)C1
InChIInChI=1S/C15H27NO4/c1-2-20-13-9-12(10-13)11-14(17)16-8-6-4-3-5-7-15(18)19/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyZLUHJJUEURNFHG-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(Ethylcarbamoyl)cyclohexyl] acetate
CID 23073233
[4-(Ethylcarbamoyl)cyclohexyl] butanoate
CID 91199976
8-[(4-Hydroxycyclohexanecarbonyl)amino]octanoic acid
CID 145814240
8-[(4-Methoxycyclohexanecarbonyl)amino]octanoic acid
CID 145814293
4-[(4-Methoxycyclohexanecarbonyl)amino]butanoic acid
CID 145818857
4-[[(5-Hydroxy-6-methoxyhexanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 162170234
2-[1-[2-Oxo-2-(3-propan-2-yloxypropylamino)ethyl]cyclopentyl]acetic acid
CID 60662047
4-[2-(Oxane-3-carbonylamino)ethyl]heptanoic acid
CID 64343225
4-[2-(Oxolane-2-carbonylamino)ethyl]heptanoic acid
CID 64343393
4-Ethyl-6-[3-(oxolan-2-yl)propanoylamino]hexanoic acid
CID 64350810
4-Methyl-6-[3-(oxolan-2-yl)propanoylamino]hexanoic acid
CID 64366726
4-[2-[[5-(Aminomethyl)oxolane-2-carbonyl]amino]ethyl]heptanoic acid
CID 80007865

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid (CID 103161750) is 7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid is CCOC1CC(CC(=O)NCCCCCCC(=O)O)C1.
What is the InChIKey of 7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid?
The InChIKey is ZLUHJJUEURNFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-2-20-13-9-12(10-13)11-14(17)16-8-6-4-3-5-7-15(18)19/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid?
7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.34, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-ethoxycyclobutyl)acetyl]amino]heptanoic acid is sourced from PubChem (CID 103161750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).