(2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid

C9H18O4 — CID 104930414

IUPAC(2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid
SMILESCC(C)C(C)(O)CO[C@@H](C)C(=O)O
InChIInChI=1S/C9H18O4/c1-6(2)9(4,12)5-13-7(3)8(10)11/h6-7,12H,5H2,1-4H3,(H,10,11)/t7-,9?/m0/s1
InChIKeyDHWOQRXXADKKBA-JAVCKPHESA-N
MW190.24 g/mol
LogP0.88
Rot. Bonds5

About (2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid

(2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid (PubChem CID 104930414) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid
PubChem CID104930414
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid
SMILESCC(C)C(C)(O)CO[C@@H](C)C(=O)O
InChIInChI=1S/C9H18O4/c1-6(2)9(4,12)5-13-7(3)8(10)11/h6-7,12H,5H2,1-4H3,(H,10,11)/t7-,9?/m0/s1
InChIKeyDHWOQRXXADKKBA-JAVCKPHESA-N
XLogP0.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423
2-(3,3-difluorobutoxy)propanoic acid
CID 84658279
(2S)-2-(3-cyano-3-methylbutoxy)propanoic acid
CID 104876020
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
2-ethoxypropanoic acid;methane
CID 160636954
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
2-(2-tert-butylsulfonylethoxy)propanoic acid
CID 106721813
2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid
CID 114495170
(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
CID 104876409
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
2-(2-amino-2-oxoethoxy)propanoic acid
CID 88812452
2-(2-fluoroethoxy)propanoic acid
CID 84648269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid?
The IUPAC name of (2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid (CID 104930414) is (2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid?
The canonical SMILES for (2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid is CC(C)C(C)(O)CO[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid?
The InChIKey is DHWOQRXXADKKBA-JAVCKPHESA-N. The full InChI is InChI=1S/C9H18O4/c1-6(2)9(4,12)5-13-7(3)8(10)11/h6-7,12H,5H2,1-4H3,(H,10,11)/t7-,9?/m0/s1.
What are the key properties of (2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid?
(2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid has a molecular weight of 190.24 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxy-2,3-dimethylbutoxy)propanoic acid is sourced from PubChem (CID 104930414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).