(2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid

C11H16O5 — CID 10398870

IUPAC(2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid
SMILESC=C(C(=O)OC)[C@H]1CC[C@@H]([C@@H](C)C(=O)O)O1
InChIInChI=1S/C11H16O5/c1-6(10(12)13)8-4-5-9(16-8)7(2)11(14)15-3/h6,8-9H,2,4-5H2,1,3H3,(H,12,13)/t6-,8+,9-/m1/s1
InChIKeyXFNVSLWBVWKXSY-BWVDBABLSA-N
MW228.24 g/mol
LogP0.98
Rot. Bonds4

About (2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid

(2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid (PubChem CID 10398870) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is (2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid
PubChem CID10398870
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid
SMILESC=C(C(=O)OC)[C@H]1CC[C@@H]([C@@H](C)C(=O)O)O1
InChIInChI=1S/C11H16O5/c1-6(10(12)13)8-4-5-9(16-8)7(2)11(14)15-3/h6,8-9H,2,4-5H2,1,3H3,(H,12,13)/t6-,8+,9-/m1/s1
InChIKeyXFNVSLWBVWKXSY-BWVDBABLSA-N
XLogP0.98
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate
CID 11652169
(2R)-2-[(2S,5R)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoic acid
CID 26183486
(2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid
CID 11500041
(2S,5S)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylic acid
CID 11708844
(2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid
CID 51683760
2-[(2R)-oxiran-2-yl]propanoic acid
CID 54126922
methyl 2-[5-(2-hydroxy(113C)propyl)(513C)oxolan-2-yl]propanoate
CID 101161874
methyl 2-methylidene-4-(oxetan-2-yl)pentanoate
CID 175276046
(2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid
CID 11673328
methyl 2-(1-propan-2-ylpiperidin-2-yl)prop-2-enoate
CID 117266930
(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 135023644
methyl 2-(oxan-3-yl)prop-2-enoate
CID 117266894

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid?
The IUPAC name of (2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid (CID 10398870) is (2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid is C=C(C(=O)OC)[C@H]1CC[C@@H]([C@@H](C)C(=O)O)O1.
What is the InChIKey of (2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid?
The InChIKey is XFNVSLWBVWKXSY-BWVDBABLSA-N. The full InChI is InChI=1S/C11H16O5/c1-6(10(12)13)8-4-5-9(16-8)7(2)11(14)15-3/h6,8-9H,2,4-5H2,1,3H3,(H,12,13)/t6-,8+,9-/m1/s1.
What are the key properties of (2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid?
(2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid has a molecular weight of 228.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5R)-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxolan-2-yl]propanoic acid is sourced from PubChem (CID 10398870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).