(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid

C8H14O5 — CID 5459971

IUPAC(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid
SMILESC[C@H](CC(=O)O)OC(=O)C[C@@H](C)O
InChIInChI=1S/C8H14O5/c1-5(9)3-8(12)13-6(2)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyRILHUWWTCSDPAN-PHDIDXHHSA-N
MW190.19 g/mol
LogP0.16
Rot. Bonds5

About (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid

(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid (PubChem CID 5459971) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid.

Molecular Properties

Compound Name(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid
PubChem CID5459971
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid
SMILESC[C@H](CC(=O)O)OC(=O)C[C@@H](C)O
InChIInChI=1S/C8H14O5/c1-5(9)3-8(12)13-6(2)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyRILHUWWTCSDPAN-PHDIDXHHSA-N
XLogP0.16
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid?
The IUPAC name of (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid (CID 5459971) is (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid.
What is the SMILES notation for (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid?
The canonical SMILES for (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid is C[C@H](CC(=O)O)OC(=O)C[C@@H](C)O.
What is the InChIKey of (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid?
The InChIKey is RILHUWWTCSDPAN-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H14O5/c1-5(9)3-8(12)13-6(2)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m1/s1.
What are the key properties of (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid?
(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid has a molecular weight of 190.19 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid is sourced from PubChem (CID 5459971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).