5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid

C13H23NO4 — CID 103161944

IUPAC5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid
SMILESCCOC1CC(CC(=O)NCCCCC(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-2-18-11-7-10(8-11)9-12(15)14-6-4-3-5-13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyKYROKYOEQGREDP-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds9

About 5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid

5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid (PubChem CID 103161944) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid
PubChem CID103161944
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid
SMILESCCOC1CC(CC(=O)NCCCCC(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-2-18-11-7-10(8-11)9-12(15)14-6-4-3-5-13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyKYROKYOEQGREDP-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.56
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

N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166301
N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307941
N-(5-amino-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 106153157
(2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid
CID 107831676
18-[[6-(2-ethoxyethylamino)-6-oxohexyl]amino]-18-oxooctadecanoic acid
CID 176877409
6-[(2-ethoxyacetyl)amino]hexanoic acid
CID 28777004
16-(butanoylamino)hexadecanoic acid
CID 118711043
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114147988
2-(3-ethoxycyclobutyl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
CID 103164863

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid (CID 103161944) is 5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid is CCOC1CC(CC(=O)NCCCCC(=O)O)C1.
What is the InChIKey of 5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid?
The InChIKey is KYROKYOEQGREDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-18-11-7-10(8-11)9-12(15)14-6-4-3-5-13(16)17/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid?
5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 103161944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).