(3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid

C19H29FN2O5Si — CID 131733092

IUPAC(3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid
SMILESCN(COCC[Si](C)(C)C)C(=O)c1ccc(N[C@]2(C(=O)O)CCOC2)cc1F
InChIInChI=1S/C19H29FN2O5Si/c1-22(13-27-9-10-28(2,3)4)17(23)15-6-5-14(11-16(15)20)21-19(18(24)25)7-8-26-12-19/h5-6,11,21H,7-10,12-13H2,1-4H3,(H,24,25)/t19-/m1/s1
InChIKeyCOVFABVQJNLADY-LJQANCHMSA-N
MW412.53 g/mol
LogP2.87
Rot. Bonds9

About (3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid

(3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid (PubChem CID 131733092) has the molecular formula C19H29FN2O5Si and a molecular weight of 412.53 g/mol. Its IUPAC name is (3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid
PubChem CID131733092
Molecular FormulaC19H29FN2O5Si
Molecular Weight412.53 g/mol
Exact Mass412.18
IUPAC Name(3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid
SMILESCN(COCC[Si](C)(C)C)C(=O)c1ccc(N[C@]2(C(=O)O)CCOC2)cc1F
InChIInChI=1S/C19H29FN2O5Si/c1-22(13-27-9-10-28(2,3)4)17(23)15-6-5-14(11-16(15)20)21-19(18(24)25)7-8-26-12-19/h5-6,11,21H,7-10,12-13H2,1-4H3,(H,24,25)/t19-/m1/s1
InChIKeyCOVFABVQJNLADY-LJQANCHMSA-N
XLogP2.87
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid?
The IUPAC name of (3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid (CID 131733092) is (3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid.
What is the SMILES notation for (3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid?
The canonical SMILES for (3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid is CN(COCC[Si](C)(C)C)C(=O)c1ccc(N[C@]2(C(=O)O)CCOC2)cc1F.
What is the InChIKey of (3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid?
The InChIKey is COVFABVQJNLADY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29FN2O5Si/c1-22(13-27-9-10-28(2,3)4)17(23)15-6-5-14(11-16(15)20)21-19(18(24)25)7-8-26-12-19/h5-6,11,21H,7-10,12-13H2,1-4H3,(H,24,25)/t19-/m1/s1.
What are the key properties of (3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid?
(3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid has a molecular weight of 412.53 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-fluoro-4-[methyl(2-trimethylsilylethoxymethyl)carbamoyl]anilino]oxolane-3-carboxylic acid is sourced from PubChem (CID 131733092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).