3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid

C12H20O4 — CID 175312642

IUPAC3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid
SMILESCCC(=O)OC(C)(CC1CCCC1)C(=O)O
InChIInChI=1S/C12H20O4/c1-3-10(13)16-12(2,11(14)15)8-9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyVPWMIYLIBNVLLI-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.36
Rot. Bonds5

About 3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid

3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid (PubChem CID 175312642) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid
PubChem CID175312642
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid
SMILESCCC(=O)OC(C)(CC1CCCC1)C(=O)O
InChIInChI=1S/C12H20O4/c1-3-10(13)16-12(2,11(14)15)8-9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyVPWMIYLIBNVLLI-UHFFFAOYSA-N
XLogP2.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethyl)-2-methylbutanoic acid
CID 62740428
2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115036499
tert-butyl hydrogen carbonate;ethylcycloheptane
CID 175418399
2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115044604
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
2-(cyclobutylmethyl)-2-propylpropanedioic acid
CID 174560392
2-(cyclohexylmethyl)-2-ethoxycarbonylpentanoic acid
CID 103974066
1-cyclopentyl-2-methylpropan-2-ol
CID 18424051
tert-butyl propanoate;hydrobromide
CID 172778720
(2S)-2-[[(1S)-1-acetyloxyethoxy]carbonylamino]-3-cyclopentyl-2-methylpropanoic acid
CID 67172552
2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106489840
(3S)-4-cyclohexyl-3-methyl-3-(methylamino)butan-2-one
CID 155643549

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid?
The IUPAC name of 3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid (CID 175312642) is 3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid?
The canonical SMILES for 3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid is CCC(=O)OC(C)(CC1CCCC1)C(=O)O.
What is the InChIKey of 3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid?
The InChIKey is VPWMIYLIBNVLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-3-10(13)16-12(2,11(14)15)8-9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid?
3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid is sourced from PubChem (CID 175312642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).