(2R)-2-methylbutanoic acid;2-methyloxetane

C9H18O3 — CID 70383358

IUPAC(2R)-2-methylbutanoic acid;2-methyloxetane
SMILESCC1CCO1.CC[C@@H](C)C(=O)O
InChIInChI=1S/C5H10O2.C4H8O/c1-3-4(2)5(6)7;1-4-2-3-5-4/h4H,3H2,1-2H3,(H,6,7);4H,2-3H2,1H3/t4-;/m1./s1
InChIKeyKAGRBBJDICDSTH-PGMHMLKASA-N
MW174.24 g/mol
LogP1.91
Rot. Bonds2

About (2R)-2-methylbutanoic acid;2-methyloxetane

(2R)-2-methylbutanoic acid;2-methyloxetane (PubChem CID 70383358) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R)-2-methylbutanoic acid;2-methyloxetane.

Molecular Properties

Compound Name(2R)-2-methylbutanoic acid;2-methyloxetane
PubChem CID70383358
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2R)-2-methylbutanoic acid;2-methyloxetane
SMILESCC1CCO1.CC[C@@H](C)C(=O)O
InChIInChI=1S/C5H10O2.C4H8O/c1-3-4(2)5(6)7;1-4-2-3-5-4/h4H,3H2,1-2H3,(H,6,7);4H,2-3H2,1H3/t4-;/m1./s1
InChIKeyKAGRBBJDICDSTH-PGMHMLKASA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylbutanoic acid;2-methyloxetane?
The IUPAC name of (2R)-2-methylbutanoic acid;2-methyloxetane (CID 70383358) is (2R)-2-methylbutanoic acid;2-methyloxetane.
What is the SMILES notation for (2R)-2-methylbutanoic acid;2-methyloxetane?
The canonical SMILES for (2R)-2-methylbutanoic acid;2-methyloxetane is CC1CCO1.CC[C@@H](C)C(=O)O.
What is the InChIKey of (2R)-2-methylbutanoic acid;2-methyloxetane?
The InChIKey is KAGRBBJDICDSTH-PGMHMLKASA-N. The full InChI is InChI=1S/C5H10O2.C4H8O/c1-3-4(2)5(6)7;1-4-2-3-5-4/h4H,3H2,1-2H3,(H,6,7);4H,2-3H2,1H3/t4-;/m1./s1.
What are the key properties of (2R)-2-methylbutanoic acid;2-methyloxetane?
(2R)-2-methylbutanoic acid;2-methyloxetane has a molecular weight of 174.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylbutanoic acid;2-methyloxetane is sourced from PubChem (CID 70383358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).