methyl 1-hydroxycyclopropane-1-carboxylate

C5H8O3 — CID 2733178

IUPACmethyl 1-hydroxycyclopropane-1-carboxylate
SMILESCOC(=O)C1(O)CC1
InChIInChI=1S/C5H8O3/c1-8-4(6)5(7)2-3-5/h7H,2-3H2,1H3
InChIKeyKPJWVJURYXOHOO-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.32
Rot. Bonds1

About methyl 1-hydroxycyclopropane-1-carboxylate

methyl 1-hydroxycyclopropane-1-carboxylate (PubChem CID 2733178) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is methyl 1-hydroxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxycyclopropane-1-carboxylate
PubChem CID2733178
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Namemethyl 1-hydroxycyclopropane-1-carboxylate
SMILESCOC(=O)C1(O)CC1
InChIInChI=1S/C5H8O3/c1-8-4(6)5(7)2-3-5/h7H,2-3H2,1H3
InChIKeyKPJWVJURYXOHOO-UHFFFAOYSA-N
XLogP-0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-hydroxythiane-4-carboxylate
CID 62214662
methyl 1-hydroxy-3,3-dimethylcyclopentane-1-carboxylate
CID 80700288
4-O-tert-butyl 1-O-methyl 1-hydroxycyclohexane-1,4-dicarboxylate
CID 146665710
methyl 4-hydroxy-1-(methylcarbamoyl)piperidine-4-carboxylate
CID 90067056
methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate
CID 15579856
methyl 1-hydroxy-3,4-dimethylcyclohexane-1-carboxylate
CID 64744701
methyl (3R)-3-hydroxypiperidine-3-carboxylate
CID 86334558
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate;ethane
CID 144500244
methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596
methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate
CID 64623842
dimethyl 4,4-diacetylcyclohexane-1,1-dicarboxylate
CID 71078652
methyl (1R,4E,6S)-6-acetyloxy-1-hydroxycyclooct-4-ene-1-carboxylate
CID 174263280

Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxycyclopropane-1-carboxylate?
The IUPAC name of methyl 1-hydroxycyclopropane-1-carboxylate (CID 2733178) is methyl 1-hydroxycyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-hydroxycyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-hydroxycyclopropane-1-carboxylate is COC(=O)C1(O)CC1.
What is the InChIKey of methyl 1-hydroxycyclopropane-1-carboxylate?
The InChIKey is KPJWVJURYXOHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-8-4(6)5(7)2-3-5/h7H,2-3H2,1H3.
What are the key properties of methyl 1-hydroxycyclopropane-1-carboxylate?
methyl 1-hydroxycyclopropane-1-carboxylate has a molecular weight of 116.12 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxycyclopropane-1-carboxylate is sourced from PubChem (CID 2733178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).