2-[(2R)-butan-2-yl]oxyacetic acid

C6H12O3 — CID 92979817

IUPAC2-[(2R)-butan-2-yl]oxyacetic acid
SMILESCC[C@@H](C)OCC(=O)O
InChIInChI=1S/C6H12O3/c1-3-5(2)9-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyIKUWHVIKVZSENZ-RXMQYKEDSA-N
MW132.16 g/mol
LogP0.89
Rot. Bonds4

About 2-[(2R)-butan-2-yl]oxyacetic acid

2-[(2R)-butan-2-yl]oxyacetic acid (PubChem CID 92979817) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]oxyacetic acid
PubChem CID92979817
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-[(2R)-butan-2-yl]oxyacetic acid
SMILESCC[C@@H](C)OCC(=O)O
InChIInChI=1S/C6H12O3/c1-3-5(2)9-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyIKUWHVIKVZSENZ-RXMQYKEDSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
2-(1-hydroxypropan-2-yloxy)acetic acid
CID 23129856
2-(1-propan-2-yloxypropan-2-yloxy)acetic acid
CID 87458706
2-[1-(dimethylamino)propan-2-yloxy]acetic acid
CID 138038028
3-[(2-butan-2-yloxyacetyl)amino]propanoic acid
CID 120515273
1-butan-2-yloxypropan-2-one;hexane
CID 143012153
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
1-butan-2-yloxy-3-cyclopropylpropan-2-one
CID 91046193
2-(1-methoxyethoxy)acetic acid;zinc
CID 174204539
2-heptan-4-yloxyacetic acid
CID 88738639
2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid
CID 65496990
ethyl 5-butan-2-yloxy-4-oxopentanoate
CID 103484916

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]oxyacetic acid?
The IUPAC name of 2-[(2R)-butan-2-yl]oxyacetic acid (CID 92979817) is 2-[(2R)-butan-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[(2R)-butan-2-yl]oxyacetic acid?
The canonical SMILES for 2-[(2R)-butan-2-yl]oxyacetic acid is CC[C@@H](C)OCC(=O)O.
What is the InChIKey of 2-[(2R)-butan-2-yl]oxyacetic acid?
The InChIKey is IKUWHVIKVZSENZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-5(2)9-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]oxyacetic acid?
2-[(2R)-butan-2-yl]oxyacetic acid has a molecular weight of 132.16 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]oxyacetic acid is sourced from PubChem (CID 92979817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).