3-hydroxy-3-(trideuteriomethyl)pentanedioic acid

C6H10O5 — CID 15558722

IUPAC3-hydroxy-3-(trideuteriomethyl)pentanedioic acid
SMILES[2H]C([2H])([2H])C(O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/i1D3
InChIKeyNPOAOTPXWNWTSH-FIBGUPNXSA-N
MW165.16 g/mol
LogP-0.31
Rot. Bonds5

About 3-hydroxy-3-(trideuteriomethyl)pentanedioic acid

3-hydroxy-3-(trideuteriomethyl)pentanedioic acid (PubChem CID 15558722) has the molecular formula C6H10O5 and a molecular weight of 165.16 g/mol. Its IUPAC name is 3-hydroxy-3-(trideuteriomethyl)pentanedioic acid.

Molecular Properties

Compound Name3-hydroxy-3-(trideuteriomethyl)pentanedioic acid
PubChem CID15558722
Molecular FormulaC6H10O5
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name3-hydroxy-3-(trideuteriomethyl)pentanedioic acid
SMILES[2H]C([2H])([2H])C(O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/i1D3
InChIKeyNPOAOTPXWNWTSH-FIBGUPNXSA-N
XLogP-0.31
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-3-(trideuteriomethyl)pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-hydroxy-3-methyl-5-oxo-5-sulfanylpentanoic acid
CID 54669581
acetic acid;3,5-dihydroxy-3-methylpentanoic acid
CID 175134746
3,5-dihydroxy-3-methylpentanoic acid;ethene
CID 174870453
(3S)-3,5-dihydroxy-3-methyl-5-phosphanylpentanoic acid
CID 174815792
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
3-ethyl-3-hydroxypentanoic acid
CID 11513768
3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid
CID 169324245
3-hydroxy-3-iodobutanoic acid
CID 174497141
benzene;3-hydroxy-3-methylbutanoic acid
CID 67584950
3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid
CID 66003148
4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 79811934

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(trideuteriomethyl)pentanedioic acid?
The IUPAC name of 3-hydroxy-3-(trideuteriomethyl)pentanedioic acid (CID 15558722) is 3-hydroxy-3-(trideuteriomethyl)pentanedioic acid.
What is the SMILES notation for 3-hydroxy-3-(trideuteriomethyl)pentanedioic acid?
The canonical SMILES for 3-hydroxy-3-(trideuteriomethyl)pentanedioic acid is [2H]C([2H])([2H])C(O)(CC(=O)O)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-(trideuteriomethyl)pentanedioic acid?
The InChIKey is NPOAOTPXWNWTSH-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/i1D3.
What are the key properties of 3-hydroxy-3-(trideuteriomethyl)pentanedioic acid?
3-hydroxy-3-(trideuteriomethyl)pentanedioic acid has a molecular weight of 165.16 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(trideuteriomethyl)pentanedioic acid is sourced from PubChem (CID 15558722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).