ethyl 3-(1-hydroxycyclobutyl)propanoate

C9H16O3 — CID 66323401

IUPACethyl 3-(1-hydroxycyclobutyl)propanoate
SMILESCCOC(=O)CCC1(O)CCC1
InChIInChI=1S/C9H16O3/c1-2-12-8(10)4-7-9(11)5-3-6-9/h11H,2-7H2,1H3
InChIKeyPNCNGXYIVAUGDS-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.24
Rot. Bonds4

About ethyl 3-(1-hydroxycyclobutyl)propanoate

ethyl 3-(1-hydroxycyclobutyl)propanoate (PubChem CID 66323401) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is ethyl 3-(1-hydroxycyclobutyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-hydroxycyclobutyl)propanoate
PubChem CID66323401
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameethyl 3-(1-hydroxycyclobutyl)propanoate
SMILESCCOC(=O)CCC1(O)CCC1
InChIInChI=1S/C9H16O3/c1-2-12-8(10)4-7-9(11)5-3-6-9/h11H,2-7H2,1H3
InChIKeyPNCNGXYIVAUGDS-UHFFFAOYSA-N
XLogP1.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(3-hydroxyoxan-3-yl)propanoate
CID 66322542
ethyl 3-(1-hydroxy-3-methylcyclohexyl)propanoate
CID 66323405
3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
CID 69312461
tert-butyl 3-(1-hydroxycyclobutyl)propanoate
CID 10910542
ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate
CID 106824103
ethyl 3-[(1R)-1,2,2-trifluorocyclobutyl]propanoate
CID 162539585
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122002
ethyl 3-(1,2,2-tribromocyclopropyl)propanoate
CID 67374723
ethyl 3-(1-amino-2-oxocyclopropyl)propanoate
CID 57247494
ethyl 3-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169398
CID 123554465
CID 123554465

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-hydroxycyclobutyl)propanoate?
The IUPAC name of ethyl 3-(1-hydroxycyclobutyl)propanoate (CID 66323401) is ethyl 3-(1-hydroxycyclobutyl)propanoate.
What is the SMILES notation for ethyl 3-(1-hydroxycyclobutyl)propanoate?
The canonical SMILES for ethyl 3-(1-hydroxycyclobutyl)propanoate is CCOC(=O)CCC1(O)CCC1.
What is the InChIKey of ethyl 3-(1-hydroxycyclobutyl)propanoate?
The InChIKey is PNCNGXYIVAUGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-12-8(10)4-7-9(11)5-3-6-9/h11H,2-7H2,1H3.
What are the key properties of ethyl 3-(1-hydroxycyclobutyl)propanoate?
ethyl 3-(1-hydroxycyclobutyl)propanoate has a molecular weight of 172.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-hydroxycyclobutyl)propanoate is sourced from PubChem (CID 66323401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).