(2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid

C9H12O4 — CID 71360444

IUPAC(2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid
SMILESCCC[C@H]1OC(=O)C(C)=C1C(=O)O
InChIInChI=1S/C9H12O4/c1-3-4-6-7(8(10)11)5(2)9(12)13-6/h6H,3-4H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyGMDXRLRSQUTZAT-ZCFIWIBFSA-N
MW184.19 g/mol
LogP1.11
Rot. Bonds3

About (2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid

(2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid (PubChem CID 71360444) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid
PubChem CID71360444
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid
SMILESCCC[C@H]1OC(=O)C(C)=C1C(=O)O
InChIInChI=1S/C9H12O4/c1-3-4-6-7(8(10)11)5(2)9(12)13-6/h6H,3-4H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyGMDXRLRSQUTZAT-ZCFIWIBFSA-N
XLogP1.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid?
The IUPAC name of (2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid (CID 71360444) is (2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid.
What is the SMILES notation for (2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid?
The canonical SMILES for (2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid is CCC[C@H]1OC(=O)C(C)=C1C(=O)O.
What is the InChIKey of (2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid?
The InChIKey is GMDXRLRSQUTZAT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12O4/c1-3-4-6-7(8(10)11)5(2)9(12)13-6/h6H,3-4H2,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid?
(2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-5-oxo-2-propyl-2H-furan-3-carboxylic acid is sourced from PubChem (CID 71360444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).