(2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid

C10H18O4 — CID 10856553

IUPAC(2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid
SMILESCC(C)COC(=O)CC[C@H](C)C(=O)O
InChIInChI=1S/C10H18O4/c1-7(2)6-14-9(11)5-4-8(3)10(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyJTTFWVWLMZUJSM-QMMMGPOBSA-N
MW202.25 g/mol
LogP1.69
Rot. Bonds6

About (2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid

(2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid (PubChem CID 10856553) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid
PubChem CID10856553
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid
SMILESCC(C)COC(=O)CC[C@H](C)C(=O)O
InChIInChI=1S/C10H18O4/c1-7(2)6-14-9(11)5-4-8(3)10(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyJTTFWVWLMZUJSM-QMMMGPOBSA-N
XLogP1.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
6-(2-methylpropoxy)-2-(2-methylpropyl)-6-oxohexanoic acid
CID 175272434
2-methylpropyl 3-fluoropropanoate
CID 140916120
(2S)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58818226
bis(2-methylpropyl) butanedioate;prop-1-ene
CID 159366466
2-methylpropyl 4-hydroxy-4-phenylbutanoate
CID 67925302
4-O-(2-ethylbutyl) 1-O-(2-methylpropyl) butanedioate
CID 91701587
bis(2-methylpropyl) 2-propan-2-ylpentadecanedioate
CID 87116293
(2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid
CID 61143698
(2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid
CID 129123672
2-methylpropyl hexanoate;2-methylpropyl 2-methylpentanoate
CID 87594188
calcium;hydride;2-methylpentanedioic acid
CID 173414295

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid (CID 10856553) is (2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid is CC(C)COC(=O)CC[C@H](C)C(=O)O.
What is the InChIKey of (2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid?
The InChIKey is JTTFWVWLMZUJSM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(2)6-14-9(11)5-4-8(3)10(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid?
(2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid is sourced from PubChem (CID 10856553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).