2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid

C9H14O5 — CID 57141770

IUPAC2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid
SMILESCCC(C)(OC(=O)C1(O)CC1)C(=O)O
InChIInChI=1S/C9H14O5/c1-3-8(2,6(10)11)14-7(12)9(13)4-5-9/h13H,3-5H2,1-2H3,(H,10,11)
InChIKeyZTRZEJLDWFMTCL-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.31
Rot. Bonds4

About 2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid

2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid (PubChem CID 57141770) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid
PubChem CID57141770
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid
SMILESCCC(C)(OC(=O)C1(O)CC1)C(=O)O
InChIInChI=1S/C9H14O5/c1-3-8(2,6(10)11)14-7(12)9(13)4-5-9/h13H,3-5H2,1-2H3,(H,10,11)
InChIKeyZTRZEJLDWFMTCL-UHFFFAOYSA-N
XLogP0.31
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-carboxybutan-2-yloxy)-6-oxohexanoyl]oxy-2-methylbutanoic acid
CID 87674379
tert-butyl 1-hydroxycyclopentane-1-carboxylate
CID 86626433
methyl 1-hydroxycyclopropane-1-carboxylate
CID 2733178
2-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]butanoic acid
CID 114988327
2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid
CID 114987810
2-methyl-2-nonadecoxybutanoic acid
CID 88680932
2-heptoxy-2-methylbutanoic acid
CID 19807820
2-[(1-hydroxycyclopentyl)methyl]-2-methylbutanoic acid
CID 79425811
4-O-tert-butyl 1-O-methyl 1-hydroxycyclohexane-1,4-dicarboxylate
CID 146665710
1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one
CID 158487254
2-carbonochloridoyloxy-2-methylpentanoic acid
CID 57096722
2-[4-[1-(4-hydroxyphenyl)cyclohexyl]phenoxy]-2-methylbutanoic acid
CID 131877413

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid?
The IUPAC name of 2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid (CID 57141770) is 2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid.
What is the SMILES notation for 2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid?
The canonical SMILES for 2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid is CCC(C)(OC(=O)C1(O)CC1)C(=O)O.
What is the InChIKey of 2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid?
The InChIKey is ZTRZEJLDWFMTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-3-8(2,6(10)11)14-7(12)9(13)4-5-9/h13H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid?
2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid has a molecular weight of 202.21 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid is sourced from PubChem (CID 57141770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).