3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid

C12H20O4 — CID 14391738

IUPAC3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
SMILESO=C(O)C(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C12H20O4/c13-12(14)9(7-10-3-1-5-15-10)8-11-4-2-6-16-11/h9-11H,1-8H2,(H,13,14)
InChIKeyLDSKXHIPOGMKFR-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.83
Rot. Bonds5

About 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid

3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid (PubChem CID 14391738) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid.

Molecular Properties

Compound Name3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
PubChem CID14391738
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
SMILESO=C(O)C(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C12H20O4/c13-12(14)9(7-10-3-1-5-15-10)8-11-4-2-6-16-11/h9-11H,1-8H2,(H,13,14)
InChIKeyLDSKXHIPOGMKFR-UHFFFAOYSA-N
XLogP1.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-3-(oxolan-2-yl)propanoic acid
CID 44719068
4-oxo-2-(oxolan-2-ylmethyl)-4-phenylbutanoic acid
CID 10308140
(2R)-2-amino-3-[(2R)-oxolan-2-yl]propanoic acid;hydrochloride
CID 155943705
2-cyano-3-(oxolan-2-yl)propanoic acid
CID 154380651
(2R)-2-amino-3-(oxan-2-yl)propanoic acid
CID 106702780
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
CID 65162425
ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate
CID 135077669
2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid
CID 104681070
4-oxo-4-(oxolan-2-ylmethoxy)but-2-enoic acid
CID 2827336
2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid
CID 79417997
6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid
CID 104681591

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid?
The IUPAC name of 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid (CID 14391738) is 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid.
What is the SMILES notation for 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid?
The canonical SMILES for 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid is O=C(O)C(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid?
The InChIKey is LDSKXHIPOGMKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c13-12(14)9(7-10-3-1-5-15-10)8-11-4-2-6-16-11/h9-11H,1-8H2,(H,13,14).
What are the key properties of 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid?
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid is sourced from PubChem (CID 14391738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).