(2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid

C10H16O5 — CID 10965923

IUPAC(2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
SMILESC[C@@H]1C[C@@](C)(CC(=O)O)O[C@@]1(C)C(=O)O
InChIInChI=1S/C10H16O5/c1-6-4-9(2,5-7(11)12)15-10(6,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,9+,10-/m1/s1
InChIKeyMCGQKNRASJPXNC-WHFVKQHSSA-N
MW216.23 g/mol
LogP1.12
Rot. Bonds3

About (2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid

(2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid (PubChem CID 10965923) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
PubChem CID10965923
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
SMILESC[C@@H]1C[C@@](C)(CC(=O)O)O[C@@]1(C)C(=O)O
InChIInChI=1S/C10H16O5/c1-6-4-9(2,5-7(11)12)15-10(6,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,9+,10-/m1/s1
InChIKeyMCGQKNRASJPXNC-WHFVKQHSSA-N
XLogP1.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dicarboxy-gamma-pentadecanolactone
CID 316426
Supiculisporic Acid
CID 73448
5-(Carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
CID 72789760
(2S)-2-[(2S,3S,5R)-3,5-diethyl-5-pentyloxolan-2-yl]-2-hydroxyacetic acid
CID 127043555
spiculisporic acid D
CID 162857638
(2S)-2-(1-carboxyundecyl)-5-oxooxolane-2-carboxylic acid
CID 137796063
Spiculisporic acid G
CID 156581157
methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate
CID 162871474
2,6,6-Trimethyloxane-2,5-dicarboxylic acid
CID 392705
2-Methyl-4-(2-methylpropyl)-5-oxooxolane-2-carboxylic acid
CID 129989072
Nemorensic acid
CID 182650
(2S,3S,5R)-5-(Carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
CID 10987678

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid?
The IUPAC name of (2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid (CID 10965923) is (2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid.
What is the SMILES notation for (2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid?
The canonical SMILES for (2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid is C[C@@H]1C[C@@](C)(CC(=O)O)O[C@@]1(C)C(=O)O.
What is the InChIKey of (2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid?
The InChIKey is MCGQKNRASJPXNC-WHFVKQHSSA-N. The full InChI is InChI=1S/C10H16O5/c1-6-4-9(2,5-7(11)12)15-10(6,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,9+,10-/m1/s1.
What are the key properties of (2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid?
(2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid has a molecular weight of 216.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid is sourced from PubChem (CID 10965923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).