methyl (2R,3S)-3-methyloxolane-2-carboxylate

C7H12O3 — CID 131847229

IUPACmethyl (2R,3S)-3-methyloxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1OCC[C@@H]1C
InChIInChI=1S/C7H12O3/c1-5-3-4-10-6(5)7(8)9-2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeySZKWANWTYSLAQC-NTSWFWBYSA-N
MW144.17 g/mol
LogP0.58
Rot. Bonds1

About methyl (2R,3S)-3-methyloxolane-2-carboxylate

methyl (2R,3S)-3-methyloxolane-2-carboxylate (PubChem CID 131847229) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl (2R,3S)-3-methyloxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-methyloxolane-2-carboxylate
PubChem CID131847229
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl (2R,3S)-3-methyloxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1OCC[C@@H]1C
InChIInChI=1S/C7H12O3/c1-5-3-4-10-6(5)7(8)9-2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeySZKWANWTYSLAQC-NTSWFWBYSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,3S,4R)-2,4-dimethyloxane-3-carboxylate
CID 14417467
propyl 3-methyloxolane-2-carboxylate
CID 81433606
methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate
CID 81463255
(2R,3S)-3-methyloxolane-2-carbohydrazide
CID 91654556
prop-2-ynyl 3-methyloxolane-2-carboxylate
CID 130622028
methyl 3-(methoxymethyl)oxolane-2-carboxylate
CID 122360164
methyl 3-(chloromethyl)oxolane-2-carboxylate
CID 10012490
cyclohexyl-(3-methyloxolan-2-yl)methanone
CID 114962159
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030
methyl (3R)-2-oxooxolane-3-carboxylate
CID 86310576
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
N-(2-amino-2-methylpropyl)-3-methyloxolane-2-carboxamide
CID 115303323

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-methyloxolane-2-carboxylate?
The IUPAC name of methyl (2R,3S)-3-methyloxolane-2-carboxylate (CID 131847229) is methyl (2R,3S)-3-methyloxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,3S)-3-methyloxolane-2-carboxylate?
The canonical SMILES for methyl (2R,3S)-3-methyloxolane-2-carboxylate is COC(=O)[C@@H]1OCC[C@@H]1C.
What is the InChIKey of methyl (2R,3S)-3-methyloxolane-2-carboxylate?
The InChIKey is SZKWANWTYSLAQC-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5-3-4-10-6(5)7(8)9-2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of methyl (2R,3S)-3-methyloxolane-2-carboxylate?
methyl (2R,3S)-3-methyloxolane-2-carboxylate has a molecular weight of 144.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-methyloxolane-2-carboxylate is sourced from PubChem (CID 131847229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).