2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid

C8H14O3 — CID 129368356

IUPAC2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid
SMILESCC(C)(C(=O)O)[C@@H]1CCCO1
InChIInChI=1S/C8H14O3/c1-8(2,7(9)10)6-4-3-5-11-6/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyWZMOEYCPWHIRPE-LURJTMIESA-N
MW158.20 g/mol
LogP1.28
Rot. Bonds2

About 2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid

2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid (PubChem CID 129368356) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid
PubChem CID129368356
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid
SMILESCC(C)(C(=O)O)[C@@H]1CCCO1
InChIInChI=1S/C8H14O3/c1-8(2,7(9)10)6-4-3-5-11-6/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyWZMOEYCPWHIRPE-LURJTMIESA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
CID 99640388
2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol
CID 551403
(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031
(2S)-2-tert-butyloxane
CID 118633229
methanediol;2-(oxolan-2-yl)propan-2-yl 2,2,2-trifluoroacetate
CID 156747447
2-[2-(oxolan-2-yl)heptan-2-yl]oxolane
CID 141391845
O-[2-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104720
alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid
CID 173211036
1-(methylamino)-2-(oxolan-2-yl)propan-2-ol
CID 131118863
3-[[[2-methyl-2-(oxan-2-yl)propanoyl]amino]methyl]benzoic acid
CID 136556238
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663
2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid
CID 102639762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid (CID 129368356) is 2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid is CC(C)(C(=O)O)[C@@H]1CCCO1.
What is the InChIKey of 2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid?
The InChIKey is WZMOEYCPWHIRPE-LURJTMIESA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2,7(9)10)6-4-3-5-11-6/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of 2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid?
2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid is sourced from PubChem (CID 129368356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).