3,3,4-trideuterio-4-hydroxybutanoic acid

C4H8O3 — CID 73387053

IUPAC3,3,4-trideuterio-4-hydroxybutanoic acid
SMILES[2H]C(O)C([2H])([2H])CC(=O)O
InChIInChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/i1D2,3D
InChIKeySJZRECIVHVDYJC-GWYZVRNTSA-N
MW107.12 g/mol
LogP-0.16
Rot. Bonds3

About 3,3,4-trideuterio-4-hydroxybutanoic acid

3,3,4-trideuterio-4-hydroxybutanoic acid (PubChem CID 73387053) has the molecular formula C4H8O3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 3,3,4-trideuterio-4-hydroxybutanoic acid.

Molecular Properties

Compound Name3,3,4-trideuterio-4-hydroxybutanoic acid
PubChem CID73387053
Molecular FormulaC4H8O3
Molecular Weight107.12 g/mol
Exact Mass107.07
IUPAC Name3,3,4-trideuterio-4-hydroxybutanoic acid
SMILES[2H]C(O)C([2H])([2H])CC(=O)O
InChIInChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/i1D2,3D
InChIKeySJZRECIVHVDYJC-GWYZVRNTSA-N
XLogP-0.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4-pentadeuterio-4-hydroxybutanoic acid
CID 73387054
6-amino-3,3,4,4,5,5,6,6-octadeuteriohexanoic acid
CID 46245160
2,2-dideuteriobutanedioic acid
CID 87143155
3-amino-3-deuteriopropanoic acid
CID 11829360
trisodium;butanedioic acid
CID 175698490
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
bis(butanedioic acid);carbonic acid
CID 159577506
azane;butanedioic acid
CID 87070561
2,2,3,3,4,4-hexadeuteriopentanedioic acid
CID 56845854
bismuthane;3-hydroxypropanoic acid
CID 173193859
azane;butanedioic acid;dihydrate
CID 141112137

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trideuterio-4-hydroxybutanoic acid?
The IUPAC name of 3,3,4-trideuterio-4-hydroxybutanoic acid (CID 73387053) is 3,3,4-trideuterio-4-hydroxybutanoic acid.
What is the SMILES notation for 3,3,4-trideuterio-4-hydroxybutanoic acid?
The canonical SMILES for 3,3,4-trideuterio-4-hydroxybutanoic acid is [2H]C(O)C([2H])([2H])CC(=O)O.
What is the InChIKey of 3,3,4-trideuterio-4-hydroxybutanoic acid?
The InChIKey is SJZRECIVHVDYJC-GWYZVRNTSA-N. The full InChI is InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/i1D2,3D.
What are the key properties of 3,3,4-trideuterio-4-hydroxybutanoic acid?
3,3,4-trideuterio-4-hydroxybutanoic acid has a molecular weight of 107.12 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trideuterio-4-hydroxybutanoic acid is sourced from PubChem (CID 73387053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).