2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate

C8H16O6 — CID 159015634

IUPAC2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
SMILESCC(C)(O)C(=O)O.COC(=O)C(C)O
InChIInChI=1S/2C4H8O3/c1-4(2,7)3(5)6;1-3(5)4(6)7-2/h7H,1-2H3,(H,5,6);3,5H,1-2H3
InChIKeyJTAZMBPIWJGSNR-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.62
Rot. Bonds2

About 2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate

2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate (PubChem CID 159015634) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate.

Molecular Properties

Compound Name2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
PubChem CID159015634
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
SMILESCC(C)(O)C(=O)O.COC(=O)C(C)O
InChIInChI=1S/2C4H8O3/c1-4(2,7)3(5)6;1-3(5)4(6)7-2/h7H,1-2H3,(H,5,6);3,5H,1-2H3
InChIKeyJTAZMBPIWJGSNR-UHFFFAOYSA-N
XLogP-0.62
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
CID 159507124
(2S)-2-hydroxy-2,3-dimethylbutanoic acid;methyl (2S)-2-hydroxy-3-methylbutanoate
CID 158364328
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate
CID 159782312
methyl 3,3,3-trihydroxy-2-methylpropanoate
CID 174825227
dimethyl 2-(2-hydroxy-2,3-dimethylbutyl)propanedioate
CID 114497667
methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 174483171

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate?
The IUPAC name of 2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate (CID 159015634) is 2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate.
What is the SMILES notation for 2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate?
The canonical SMILES for 2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate is CC(C)(O)C(=O)O.COC(=O)C(C)O.
What is the InChIKey of 2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate?
The InChIKey is JTAZMBPIWJGSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O3/c1-4(2,7)3(5)6;1-3(5)4(6)7-2/h7H,1-2H3,(H,5,6);3,5H,1-2H3.
What are the key properties of 2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate?
2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate has a molecular weight of 208.21 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate is sourced from PubChem (CID 159015634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).