(2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C11H20O4 — CID 86635226

IUPAC(2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC[C@H](CCC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H20O4/c1-5-8(10(13)14)6-7-9(12)15-11(2,3)4/h8H,5-7H2,1-4H3,(H,13,14)/t8-/m1/s1
InChIKeyMIWFXRDPCLGNBA-MRVPVSSYSA-N
MW216.28 g/mol
LogP2.22
Rot. Bonds5

About (2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

(2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 86635226) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID86635226
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC[C@H](CCC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H20O4/c1-5-8(10(13)14)6-7-9(12)15-11(2,3)4/h8H,5-7H2,1-4H3,(H,13,14)/t8-/m1/s1
InChIKeyMIWFXRDPCLGNBA-MRVPVSSYSA-N
XLogP2.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid 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

(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 12602165
(2S)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58818226
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
tert-butyl 4-methylpentanoate
CID 14724205
ditert-butyl 2-(sulfanylmethyl)pentanedioate
CID 54099863
(2S,3S)-2-amino-3-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
CID 54069607
(2S,4R)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hexanoic acid
CID 54311211
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
tert-butyl (4R)-4-aminopentanoate
CID 58781983
2-(2-ethoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 87734415
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]dodecanoic acid
CID 174448330
(2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 106931624

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of (2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 86635226) is (2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC[C@H](CCC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is MIWFXRDPCLGNBA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-8(10(13)14)6-7-9(12)15-11(2,3)4/h8H,5-7H2,1-4H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
(2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 86635226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).