2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid

C4H8O3 — CID 71309334

IUPAC2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
SMILES[13CH3][13C]([13CH3])(O)[13C](=O)O
InChIInChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)/i1+1,2+1,3+1,4+1
InChIKeyBWLBGMIXKSTLSX-JCDJMFQYSA-N
MW108.07 g/mol
LogP-0.16
Rot. Bonds1

About 2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid

2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid (PubChem CID 71309334) has the molecular formula C4H8O3 and a molecular weight of 108.07 g/mol. Its IUPAC name is 2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
PubChem CID71309334
Molecular FormulaC4H8O3
Molecular Weight108.07 g/mol
Exact Mass108.06
IUPAC Name2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
SMILES[13CH3][13C]([13CH3])(O)[13C](=O)O
InChIInChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)/i1+1,2+1,3+1,4+1
InChIKeyBWLBGMIXKSTLSX-JCDJMFQYSA-N
XLogP-0.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trideuterio-2-hydroxy-2-(trideuteriomethyl)propanoic acid
CID 10486812
2,2-dimethylpropanoic acid
CID 87781698
carbonic acid;2-methylpropan-2-ol
CID 87955021
2-bromo-2-hydroxypropanoic acid
CID 88707429
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
(2S,3S)-2,3-ditert-butyl-2,3-dihydroxybutanedioic acid
CID 151227491
bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)
CID 5255084
2-chloro-2-hydroxypropanoic acid;silver
CID 175606695
2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
CID 159015634
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
2,2-dimethylpropanedioic acid;silver
CID 174269885

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid?
The IUPAC name of 2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid (CID 71309334) is 2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid is [13CH3][13C]([13CH3])(O)[13C](=O)O.
What is the InChIKey of 2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid?
The InChIKey is BWLBGMIXKSTLSX-JCDJMFQYSA-N. The full InChI is InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)/i1+1,2+1,3+1,4+1.
What are the key properties of 2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid?
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid has a molecular weight of 108.07 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid is sourced from PubChem (CID 71309334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).