(2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid

C11H18O5 — CID 68822040

IUPAC(2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid
SMILESCCC[C@H](C[C@@H]1OC(C)(C)OC1=O)C(=O)O
InChIInChI=1S/C11H18O5/c1-4-5-7(9(12)13)6-8-10(14)16-11(2,3)15-8/h7-8H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyJTJKTUSXQIXYIT-SFYZADRCSA-N
MW230.26 g/mol
LogP1.56
Rot. Bonds5

About (2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid

(2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid (PubChem CID 68822040) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid
PubChem CID68822040
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid
SMILESCCC[C@H](C[C@@H]1OC(C)(C)OC1=O)C(=O)O
InChIInChI=1S/C11H18O5/c1-4-5-7(9(12)13)6-8-10(14)16-11(2,3)15-8/h7-8H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyJTJKTUSXQIXYIT-SFYZADRCSA-N
XLogP1.56
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid?
The IUPAC name of (2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid (CID 68822040) is (2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid.
What is the SMILES notation for (2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid?
The canonical SMILES for (2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid is CCC[C@H](C[C@@H]1OC(C)(C)OC1=O)C(=O)O.
What is the InChIKey of (2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid?
The InChIKey is JTJKTUSXQIXYIT-SFYZADRCSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-5-7(9(12)13)6-8-10(14)16-11(2,3)15-8/h7-8H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of (2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid?
(2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]methyl]pentanoic acid is sourced from PubChem (CID 68822040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).