(2R)-2-methyloxetane-2-carboxylic acid

C5H8O3 — CID 97031044

IUPAC(2R)-2-methyloxetane-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CCO1
InChIInChI=1S/C5H8O3/c1-5(4(6)7)2-3-8-5/h2-3H2,1H3,(H,6,7)/t5-/m1/s1
InChIKeyKLHHPSLZRBPPKG-RXMQYKEDSA-N
MW116.12 g/mol
LogP0.25
Rot. Bonds1

About (2R)-2-methyloxetane-2-carboxylic acid

(2R)-2-methyloxetane-2-carboxylic acid (PubChem CID 97031044) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (2R)-2-methyloxetane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyloxetane-2-carboxylic acid
PubChem CID97031044
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(2R)-2-methyloxetane-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CCO1
InChIInChI=1S/C5H8O3/c1-5(4(6)7)2-3-8-5/h2-3H2,1H3,(H,6,7)/t5-/m1/s1
InChIKeyKLHHPSLZRBPPKG-RXMQYKEDSA-N
XLogP0.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
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methane;5-methyl-2,2-dioxooxathiolane-5-carboxylic acid
CID 87372551
ethane;2-methyloxane-2-carboxamide
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(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid
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2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid
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(2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid
CID 7054377
2-ethyl-4-methoxy-2-methyloxane-4-carboxylic acid
CID 116769407
(2S)-2-methyl-4-oxo-3H-pyran-2-carboxylic acid
CID 90471039
3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
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1-chloro-4,4-dimethylcyclohexane-1-carboxylic acid
CID 165485551

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyloxetane-2-carboxylic acid?
The IUPAC name of (2R)-2-methyloxetane-2-carboxylic acid (CID 97031044) is (2R)-2-methyloxetane-2-carboxylic acid.
What is the SMILES notation for (2R)-2-methyloxetane-2-carboxylic acid?
The canonical SMILES for (2R)-2-methyloxetane-2-carboxylic acid is C[C@]1(C(=O)O)CCO1.
What is the InChIKey of (2R)-2-methyloxetane-2-carboxylic acid?
The InChIKey is KLHHPSLZRBPPKG-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H8O3/c1-5(4(6)7)2-3-8-5/h2-3H2,1H3,(H,6,7)/t5-/m1/s1.
What are the key properties of (2R)-2-methyloxetane-2-carboxylic acid?
(2R)-2-methyloxetane-2-carboxylic acid has a molecular weight of 116.12 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyloxetane-2-carboxylic acid is sourced from PubChem (CID 97031044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).