2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid

C11H21NO3 — CID 106824660

IUPAC2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid
SMILESCCOC1CC(CC(=O)O)(C(N)CC)C1
InChIInChI=1S/C11H21NO3/c1-3-9(12)11(7-10(13)14)5-8(6-11)15-4-2/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyFYVNELWHUMTTGU-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.38
Rot. Bonds6

About 2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid

2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid (PubChem CID 106824660) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid
PubChem CID106824660
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid
SMILESCCOC1CC(CC(=O)O)(C(N)CC)C1
InChIInChI=1S/C11H21NO3/c1-3-9(12)11(7-10(13)14)5-8(6-11)15-4-2/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyFYVNELWHUMTTGU-UHFFFAOYSA-N
XLogP1.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid
CID 103565425
2-[1-(1-aminopropyl)-3-ethylcyclopentyl]acetic acid
CID 66096901
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate
CID 106824079
2-[3-ethoxy-1-(4-methylpiperazin-1-yl)cyclobutyl]acetic acid
CID 106824241
methyl 2-(1-amino-3-ethoxycyclobutyl)acetate
CID 106824251
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid
CID 106822538
2-[3-ethoxy-1-(ethylamino)cyclobutyl]acetamide
CID 106824505
2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid
CID 66098761
2-(3,3-difluorocyclobutyl)oxyacetic acid
CID 146048587
2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
CID 66096041
1-(difluoromethyl)-3-ethoxycyclobutan-1-ol
CID 106823329
3-ethoxy-1-(2-methylpropyl)cyclobutan-1-ol
CID 106823218

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid (CID 106824660) is 2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid is CCOC1CC(CC(=O)O)(C(N)CC)C1.
What is the InChIKey of 2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid?
The InChIKey is FYVNELWHUMTTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(12)11(7-10(13)14)5-8(6-11)15-4-2/h8-9H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid?
2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid is sourced from PubChem (CID 106824660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).