(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C10H18O4 — CID 139971647

IUPAC(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESC[C@H](CC(=O)O)CC(=O)OC(C)(C)C
InChIInChI=1S/C10H18O4/c1-7(5-8(11)12)6-9(13)14-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)/t7-/m1/s1
InChIKeyULGZDQWSRHCRQJ-SSDOTTSWSA-N
MW202.25 g/mol
LogP1.83
Rot. Bonds4

About (3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 139971647) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID139971647
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESC[C@H](CC(=O)O)CC(=O)OC(C)(C)C
InChIInChI=1S/C10H18O4/c1-7(5-8(11)12)6-9(13)14-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)/t7-/m1/s1
InChIKeyULGZDQWSRHCRQJ-SSDOTTSWSA-N
XLogP1.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-methylpentanoate
CID 158245009
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
2-[(1S)-1-hydroxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 158254830
tert-butyl 3-methyloctanoate
CID 118562795
(3R)-5-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 131637281
2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid
CID 87341796
(2S,3S)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoic acid
CID 122408523
(2S,4R)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hexanoic acid
CID 54311211
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 131165923
strontium;hydride;3-methylpentanedioic acid
CID 173490798
tert-butyl 3,3-diaminopropanoate
CID 57031897
CID 123197346
CID 123197346

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of (3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 139971647) is (3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for (3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for (3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is C[C@H](CC(=O)O)CC(=O)OC(C)(C)C.
What is the InChIKey of (3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is ULGZDQWSRHCRQJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(5-8(11)12)6-9(13)14-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 139971647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).