ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate

C11H20O3 — CID 62398594

IUPACethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate
SMILESCCOC(=O)C(C(C)C)C(O)C1CC1
InChIInChI=1S/C11H20O3/c1-4-14-11(13)9(7(2)3)10(12)8-5-6-8/h7-10,12H,4-6H2,1-3H3
InChIKeyJLXLEGVGKJRNNX-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.59
Rot. Bonds5

About ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate

ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate (PubChem CID 62398594) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate
PubChem CID62398594
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate
SMILESCCOC(=O)C(C(C)C)C(O)C1CC1
InChIInChI=1S/C11H20O3/c1-4-14-11(13)9(7(2)3)10(12)8-5-6-8/h7-10,12H,4-6H2,1-3H3
InChIKeyJLXLEGVGKJRNNX-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate?
The IUPAC name of ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate (CID 62398594) is ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate.
What is the SMILES notation for ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate?
The canonical SMILES for ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate is CCOC(=O)C(C(C)C)C(O)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate?
The InChIKey is JLXLEGVGKJRNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-14-11(13)9(7(2)3)10(12)8-5-6-8/h7-10,12H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate?
ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate has a molecular weight of 200.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate is sourced from PubChem (CID 62398594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).