(2R)-2-acetyloxypentanedioic acid

C7H10O6 — CID 150835341

IUPAC(2R)-2-acetyloxypentanedioic acid
SMILESCC(=O)O[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H10O6/c1-4(8)13-5(7(11)12)2-3-6(9)10/h5H,2-3H2,1H3,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKeyKMVYIJKOLJZOFX-RXMQYKEDSA-N
MW190.15 g/mol
LogP-0.13
Rot. Bonds5

About (2R)-2-acetyloxypentanedioic acid

(2R)-2-acetyloxypentanedioic acid (PubChem CID 150835341) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is (2R)-2-acetyloxypentanedioic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxypentanedioic acid
PubChem CID150835341
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name(2R)-2-acetyloxypentanedioic acid
SMILESCC(=O)O[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H10O6/c1-4(8)13-5(7(11)12)2-3-6(9)10/h5H,2-3H2,1H3,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKeyKMVYIJKOLJZOFX-RXMQYKEDSA-N
XLogP-0.13
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyloxypentanoic acid
CID 14737198
2-acetyloxybutanedioic acid;ethane
CID 90962940
(3-acetyloxy-3-carboxypropyl)-trimethylazanium
CID 174238274
2-acetyloxy-5,5-dimethylhexanoic acid
CID 174761452
2-acetyloxy-5-bromohexanoic acid
CID 88794592
2-acetyloxybutanoic acid
CID 13327294
2-methylperoxypentanedioic acid
CID 87972378
2-acetyloxyhexadecanoic acid
CID 15599534
(2S)-2-acetyloxydodecanoic acid
CID 90302969
(2R)-2-acetyloxy-4-methylpentanoic acid
CID 71346795
(2S)-2-[(3S)-3-[(3S)-3-[(3S)-3-acetyloxy-3-carboxypropanoyl]oxy-3-carboxypropanoyl]oxy-3-carboxypropanoyl]oxybutanedioic acid
CID 10792169
(4S)-4-acetyloxyheptanoic acid
CID 166058872

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxypentanedioic acid?
The IUPAC name of (2R)-2-acetyloxypentanedioic acid (CID 150835341) is (2R)-2-acetyloxypentanedioic acid.
What is the SMILES notation for (2R)-2-acetyloxypentanedioic acid?
The canonical SMILES for (2R)-2-acetyloxypentanedioic acid is CC(=O)O[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-acetyloxypentanedioic acid?
The InChIKey is KMVYIJKOLJZOFX-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10O6/c1-4(8)13-5(7(11)12)2-3-6(9)10/h5H,2-3H2,1H3,(H,9,10)(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-2-acetyloxypentanedioic acid?
(2R)-2-acetyloxypentanedioic acid has a molecular weight of 190.15 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxypentanedioic acid is sourced from PubChem (CID 150835341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).