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

C7H10O5 — CID 89191877

IUPAC(2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid
SMILESCC1OC(=O)[C@@H]([C@H](C)C(=O)O)O1
InChIInChI=1S/C7H10O5/c1-3(6(8)9)5-7(10)12-4(2)11-5/h3-5H,1-2H3,(H,8,9)/t3-,4?,5+/m0/s1
InChIKeyMVWIUBXIPNVXMF-LJJLCWGRSA-N
MW174.15 g/mol
LogP-0.00
Rot. Bonds2

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

(2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 89191877) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid
PubChem CID89191877
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid
SMILESCC1OC(=O)[C@@H]([C@H](C)C(=O)O)O1
InChIInChI=1S/C7H10O5/c1-3(6(8)9)5-7(10)12-4(2)11-5/h3-5H,1-2H3,(H,8,9)/t3-,4?,5+/m0/s1
InChIKeyMVWIUBXIPNVXMF-LJJLCWGRSA-N
XLogP-0.00
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of (2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid (CID 89191877) is (2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid is CC1OC(=O)[C@@H]([C@H](C)C(=O)O)O1.
What is the InChIKey of (2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is MVWIUBXIPNVXMF-LJJLCWGRSA-N. The full InChI is InChI=1S/C7H10O5/c1-3(6(8)9)5-7(10)12-4(2)11-5/h3-5H,1-2H3,(H,8,9)/t3-,4?,5+/m0/s1.
What are the key properties of (2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid?
(2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 174.15 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-2-methyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 89191877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).