(3R)-2-methyloxolane-3-carboxylic acid

C6H10O3 — CID 54532975

IUPAC(3R)-2-methyloxolane-3-carboxylic acid
SMILESCC1OCC[C@H]1C(=O)O
InChIInChI=1S/C6H10O3/c1-4-5(6(7)8)2-3-9-4/h4-5H,2-3H2,1H3,(H,7,8)/t4?,5-/m1/s1
InChIKeyYXVATTQXDIZNEP-BRJRFNKRSA-N
MW130.14 g/mol
LogP0.50
Rot. Bonds1

About (3R)-2-methyloxolane-3-carboxylic acid

(3R)-2-methyloxolane-3-carboxylic acid (PubChem CID 54532975) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3R)-2-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-methyloxolane-3-carboxylic acid
PubChem CID54532975
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3R)-2-methyloxolane-3-carboxylic acid
SMILESCC1OCC[C@H]1C(=O)O
InChIInChI=1S/C6H10O3/c1-4-5(6(7)8)2-3-9-4/h4-5H,2-3H2,1H3,(H,7,8)/t4?,5-/m1/s1
InChIKeyYXVATTQXDIZNEP-BRJRFNKRSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S,3R)-2-methyloxolan-3-yl]ethanone
CID 102014015
4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750313
cyclobutyl-(2-methyloxolan-3-yl)methanone
CID 115811561
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750680
2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one
CID 130647263
3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775119
1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79750460
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone
CID 79760065

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyloxolane-3-carboxylic acid?
The IUPAC name of (3R)-2-methyloxolane-3-carboxylic acid (CID 54532975) is (3R)-2-methyloxolane-3-carboxylic acid.
What is the SMILES notation for (3R)-2-methyloxolane-3-carboxylic acid?
The canonical SMILES for (3R)-2-methyloxolane-3-carboxylic acid is CC1OCC[C@H]1C(=O)O.
What is the InChIKey of (3R)-2-methyloxolane-3-carboxylic acid?
The InChIKey is YXVATTQXDIZNEP-BRJRFNKRSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-5(6(7)8)2-3-9-4/h4-5H,2-3H2,1H3,(H,7,8)/t4?,5-/m1/s1.
What are the key properties of (3R)-2-methyloxolane-3-carboxylic acid?
(3R)-2-methyloxolane-3-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 54532975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).