tert-butyl 3-(furan-2-yl)propanoate

C11H16O3 — CID 63897010

IUPACtert-butyl 3-(furan-2-yl)propanoate
SMILESCC(C)(C)OC(=O)CCc1ccco1
InChIInChI=1S/C11H16O3/c1-11(2,3)14-10(12)7-6-9-5-4-8-13-9/h4-5,8H,6-7H2,1-3H3
InChIKeyHLNZHGQSEKFPOL-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.55
Rot. Bonds3

About tert-butyl 3-(furan-2-yl)propanoate

tert-butyl 3-(furan-2-yl)propanoate (PubChem CID 63897010) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is tert-butyl 3-(furan-2-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(furan-2-yl)propanoate
PubChem CID63897010
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nametert-butyl 3-(furan-2-yl)propanoate
SMILESCC(C)(C)OC(=O)CCc1ccco1
InChIInChI=1S/C11H16O3/c1-11(2,3)14-10(12)7-6-9-5-4-8-13-9/h4-5,8H,6-7H2,1-3H3
InChIKeyHLNZHGQSEKFPOL-UHFFFAOYSA-N
XLogP2.55
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[[N-[2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111838879
tert-butyl 3-(furan-2-ylmethoxy)propanoate
CID 14833126
tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate
CID 106707217
tert-butyl 3-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]propanoate;hydroiodide
CID 111838866
2-bromoethyl 3-(furan-2-yl)propanoate
CID 174386659
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 78763973
tert-butyl 6-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111465865
(2S)-2-(furan-2-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 91666114
ethyl 5-(furan-2-yl)-3-oxopentanoate
CID 10846117
1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
CID 105089444
tert-butyl 4-[3-(furan-2-yl)propanoyl]-3-methylpiperazine-1-carboxylate
CID 56785244
6-(furan-2-yl)hexane-2,4-dione
CID 155288881

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(furan-2-yl)propanoate?
The IUPAC name of tert-butyl 3-(furan-2-yl)propanoate (CID 63897010) is tert-butyl 3-(furan-2-yl)propanoate.
What is the SMILES notation for tert-butyl 3-(furan-2-yl)propanoate?
The canonical SMILES for tert-butyl 3-(furan-2-yl)propanoate is CC(C)(C)OC(=O)CCc1ccco1.
What is the InChIKey of tert-butyl 3-(furan-2-yl)propanoate?
The InChIKey is HLNZHGQSEKFPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-11(2,3)14-10(12)7-6-9-5-4-8-13-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of tert-butyl 3-(furan-2-yl)propanoate?
tert-butyl 3-(furan-2-yl)propanoate has a molecular weight of 196.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(furan-2-yl)propanoate is sourced from PubChem (CID 63897010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).