4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid

C8H14O5 — CID 174575032

IUPAC4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid
SMILESCC(=O)CC(CC(O)CO)C(=O)O
InChIInChI=1S/C8H14O5/c1-5(10)2-6(8(12)13)3-7(11)4-9/h6-7,9,11H,2-4H2,1H3,(H,12,13)
InChIKeyTWLVTPHJWCZOSY-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.59
Rot. Bonds6

About 4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid

4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid (PubChem CID 174575032) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid.

Molecular Properties

Compound Name4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid
PubChem CID174575032
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid
SMILESCC(=O)CC(CC(O)CO)C(=O)O
InChIInChI=1S/C8H14O5/c1-5(10)2-6(8(12)13)3-7(11)4-9/h6-7,9,11H,2-4H2,1H3,(H,12,13)
InChIKeyTWLVTPHJWCZOSY-UHFFFAOYSA-N
XLogP-0.59
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one
CID 87707653
4-methylpentan-2-one;propane-1,2,3-triol
CID 88598058
2-(methylsulfanylmethyl)-4-oxopentanoic acid
CID 157156436
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
2-(2,3-dihydroxypropyl)tetradecanedioic acid
CID 175059920
2-(2,3-dihydroxypropyl)icosanedioic acid
CID 175059553
(3S,5R)-3,5,6-trihydroxyhexan-2-one
CID 141478041
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
acetic acid;ethane-1,2-diol;propane-1,2,3-triol
CID 174966848
(4S)-2-amino-4,5-dihydroxypentanoic acid
CID 58205958
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid?
The IUPAC name of 4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid (CID 174575032) is 4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid.
What is the SMILES notation for 4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid?
The canonical SMILES for 4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid is CC(=O)CC(CC(O)CO)C(=O)O.
What is the InChIKey of 4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid?
The InChIKey is TWLVTPHJWCZOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-5(10)2-6(8(12)13)3-7(11)4-9/h6-7,9,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid?
4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid has a molecular weight of 190.19 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-2-(2-oxopropyl)pentanoic acid is sourced from PubChem (CID 174575032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).