methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate

C7H12O4 — CID 143037549

IUPACmethyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(CO)O1
InChIInChI=1S/C7H12O4/c1-10-7(9)6-3-2-5(4-8)11-6/h5-6,8H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeyLDWYDEKCIVRELL-GDVGLLTNSA-N
MW160.17 g/mol
LogP-0.30
Rot. Bonds2

About methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate

methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate (PubChem CID 143037549) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate
PubChem CID143037549
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namemethyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(CO)O1
InChIInChI=1S/C7H12O4/c1-10-7(9)6-3-2-5(4-8)11-6/h5-6,8H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeyLDWYDEKCIVRELL-GDVGLLTNSA-N
XLogP-0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,5R)-5-[(2-methylphenyl)sulfonylmethyl]oxolane-2-carboxylate
CID 166304082
methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate
CID 19874542
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate
CID 11652169
ethyl (2S,5R)-5-(iodomethyl)oxolane-2-carboxylate
CID 15425786
N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 131207372
2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate
CID 104563407
methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride
CID 155291136
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
methyl (2S,5R)-5-hydroxyoxane-2-carboxylate
CID 67431822
1-[5-(chloromethyl)oxolan-2-yl]ethanone
CID 158285804
tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate?
The IUPAC name of methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate (CID 143037549) is methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate.
What is the SMILES notation for methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate?
The canonical SMILES for methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate is COC(=O)[C@@H]1CCC(CO)O1.
What is the InChIKey of methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate?
The InChIKey is LDWYDEKCIVRELL-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H12O4/c1-10-7(9)6-3-2-5(4-8)11-6/h5-6,8H,2-4H2,1H3/t5?,6-/m0/s1.
What are the key properties of methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate?
methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate has a molecular weight of 160.17 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate is sourced from PubChem (CID 143037549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).