2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid

C10H18O5 — CID 21472782

IUPAC2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid
SMILESCOC(=O)C(C)(O)C(CC(C)C)C(=O)O
InChIInChI=1S/C10H18O5/c1-6(2)5-7(8(11)12)10(3,14)9(13)15-4/h6-7,14H,5H2,1-4H3,(H,11,12)
InChIKeyTVVAVLGDWSJZAT-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.66
Rot. Bonds5

About 2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid

2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid (PubChem CID 21472782) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid
PubChem CID21472782
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid
SMILESCOC(=O)C(C)(O)C(CC(C)C)C(=O)O
InChIInChI=1S/C10H18O5/c1-6(2)5-7(8(11)12)10(3,14)9(13)15-4/h6-7,14H,5H2,1-4H3,(H,11,12)
InChIKeyTVVAVLGDWSJZAT-UHFFFAOYSA-N
XLogP0.66
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3S)-3-(dimethylcarbamoyl)-2-hydroxy-2,5-dimethylhexanoate
CID 135057161
(2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 175112445
4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid
CID 157318706
2-methoxy-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610895
dimethyl (2S,3S)-2,3-dihydroxy-2-methylbutanedioate
CID 59873550
dimethyl 2,3-dihydroxy-2-methylbutanedioate
CID 22946220
methyl 2,2-dimethylpropanoate;2-methylpropan-1-ol
CID 87522003
3-(2,2-dimethylpropoxycarbonyl)-5,5-dimethyl-2-(2-methylpropyl)-3-propan-2-ylhexanoic acid
CID 118610905
methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate
CID 104644259
methyl 2,2-difluoro-3-hydroxy-5-methylhexanoate
CID 86663801
ethyl 2-hydroxy-2,5-dimethyl-3-(2-methylpropyl)hexanoate
CID 114868881
methyl 2-bromo-2,3-dimethylbutanoate
CID 13167259

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid?
The IUPAC name of 2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid (CID 21472782) is 2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid?
The canonical SMILES for 2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid is COC(=O)C(C)(O)C(CC(C)C)C(=O)O.
What is the InChIKey of 2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid?
The InChIKey is TVVAVLGDWSJZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-6(2)5-7(8(11)12)10(3,14)9(13)15-4/h6-7,14H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid?
2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid is sourced from PubChem (CID 21472782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).