(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid

C9H10O5 — CID 97184369

IUPAC(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
SMILESCOC(=O)[C@H](Cc1ccco1)C(=O)O
InChIInChI=1S/C9H10O5/c1-13-9(12)7(8(10)11)5-6-3-2-4-14-6/h2-4,7H,5H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyVMSVVOJCJXFXJI-SSDOTTSWSA-N
MW198.17 g/mol
LogP0.70
Rot. Bonds4

About (2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid

(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid (PubChem CID 97184369) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is (2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid.

Molecular Properties

Compound Name(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
PubChem CID97184369
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
SMILESCOC(=O)[C@H](Cc1ccco1)C(=O)O
InChIInChI=1S/C9H10O5/c1-13-9(12)7(8(10)11)5-6-3-2-4-14-6/h2-4,7H,5H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyVMSVVOJCJXFXJI-SSDOTTSWSA-N
XLogP0.70
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic 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 (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
(2S)-2-(furan-2-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 91666114
methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148182
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
CID 14460596
methyl 2-[(benzylamino)methyl]-3-(furan-2-yl)propanoate
CID 102459243
2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid
CID 68697822
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
methyl 2-(azepan-1-ylmethyl)-3-(furan-2-yl)propanoate
CID 117246343
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
2,3-bis(furan-2-yl)propanoic acid
CID 151762874
1-(furan-2-yl)propan-2-yl carbamate
CID 67843163

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid?
The IUPAC name of (2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid (CID 97184369) is (2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid.
What is the SMILES notation for (2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid?
The canonical SMILES for (2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid is COC(=O)[C@H](Cc1ccco1)C(=O)O.
What is the InChIKey of (2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid?
The InChIKey is VMSVVOJCJXFXJI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10O5/c1-13-9(12)7(8(10)11)5-6-3-2-4-14-6/h2-4,7H,5H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid?
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid has a molecular weight of 198.17 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid is sourced from PubChem (CID 97184369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).