(5R)-5-hydroxy-4-oxoheptanoic acid

C7H12O4 — CID 129354133

IUPAC(5R)-5-hydroxy-4-oxoheptanoic acid
SMILESCC[C@@H](O)C(=O)CCC(=O)O
InChIInChI=1S/C7H12O4/c1-2-5(8)6(9)3-4-7(10)11/h5,8H,2-4H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyHGAIGHCTUYURCA-RXMQYKEDSA-N
MW160.17 g/mol
LogP0.19
Rot. Bonds5

About (5R)-5-hydroxy-4-oxoheptanoic acid

(5R)-5-hydroxy-4-oxoheptanoic acid (PubChem CID 129354133) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (5R)-5-hydroxy-4-oxoheptanoic acid.

Molecular Properties

Compound Name(5R)-5-hydroxy-4-oxoheptanoic acid
PubChem CID129354133
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(5R)-5-hydroxy-4-oxoheptanoic acid
SMILESCC[C@@H](O)C(=O)CCC(=O)O
InChIInChI=1S/C7H12O4/c1-2-5(8)6(9)3-4-7(10)11/h5,8H,2-4H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyHGAIGHCTUYURCA-RXMQYKEDSA-N
XLogP0.19
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-4-oxoheptanoic acid?
The IUPAC name of (5R)-5-hydroxy-4-oxoheptanoic acid (CID 129354133) is (5R)-5-hydroxy-4-oxoheptanoic acid.
What is the SMILES notation for (5R)-5-hydroxy-4-oxoheptanoic acid?
The canonical SMILES for (5R)-5-hydroxy-4-oxoheptanoic acid is CC[C@@H](O)C(=O)CCC(=O)O.
What is the InChIKey of (5R)-5-hydroxy-4-oxoheptanoic acid?
The InChIKey is HGAIGHCTUYURCA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12O4/c1-2-5(8)6(9)3-4-7(10)11/h5,8H,2-4H2,1H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (5R)-5-hydroxy-4-oxoheptanoic acid?
(5R)-5-hydroxy-4-oxoheptanoic acid has a molecular weight of 160.17 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-4-oxoheptanoic acid is sourced from PubChem (CID 129354133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).