tert-butyl 3-(1-hydroxycyclobutyl)propanoate

C11H20O3 — CID 10910542

IUPACtert-butyl 3-(1-hydroxycyclobutyl)propanoate
SMILESCC(C)(C)OC(=O)CCC1(O)CCC1
InChIInChI=1S/C11H20O3/c1-10(2,3)14-9(12)5-8-11(13)6-4-7-11/h13H,4-8H2,1-3H3
InChIKeyCGNJCPLMPXXYRA-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.02
Rot. Bonds3

About tert-butyl 3-(1-hydroxycyclobutyl)propanoate

tert-butyl 3-(1-hydroxycyclobutyl)propanoate (PubChem CID 10910542) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 3-(1-hydroxycyclobutyl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(1-hydroxycyclobutyl)propanoate
PubChem CID10910542
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametert-butyl 3-(1-hydroxycyclobutyl)propanoate
SMILESCC(C)(C)OC(=O)CCC1(O)CCC1
InChIInChI=1S/C11H20O3/c1-10(2,3)14-9(12)5-8-11(13)6-4-7-11/h13H,4-8H2,1-3H3
InChIKeyCGNJCPLMPXXYRA-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(1-hydroxycyclobutyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(1-ethylcyclopropyl)propanoate
CID 166027705
tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
CID 137480139
tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate
CID 103264791
tert-butyl 3-(3-methylpyrrolidin-3-yl)propanoate
CID 157413904
ditert-butyl pentanedioate
CID 3016405
tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate
CID 115037342
4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one
CID 82254286
tert-butyl 3-[3,5,7-tris(aminomethyl)-1-adamantyl]propanoate
CID 58390551
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate
CID 59833239
tert-butyl 4-(1-hydroxycyclopentyl)but-3-ynoate
CID 102086964

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-hydroxycyclobutyl)propanoate?
The IUPAC name of tert-butyl 3-(1-hydroxycyclobutyl)propanoate (CID 10910542) is tert-butyl 3-(1-hydroxycyclobutyl)propanoate.
What is the SMILES notation for tert-butyl 3-(1-hydroxycyclobutyl)propanoate?
The canonical SMILES for tert-butyl 3-(1-hydroxycyclobutyl)propanoate is CC(C)(C)OC(=O)CCC1(O)CCC1.
What is the InChIKey of tert-butyl 3-(1-hydroxycyclobutyl)propanoate?
The InChIKey is CGNJCPLMPXXYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2,3)14-9(12)5-8-11(13)6-4-7-11/h13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 3-(1-hydroxycyclobutyl)propanoate?
tert-butyl 3-(1-hydroxycyclobutyl)propanoate has a molecular weight of 200.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-hydroxycyclobutyl)propanoate is sourced from PubChem (CID 10910542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).