(4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid

C17H23NO7 — CID 67710515

IUPAC(4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
SMILESCOc1ccc(C2OC[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C17H23NO7/c1-17(2,3)25-16(21)18-12(15(19)20)9-24-14(18)11-7-6-10(22-4)8-13(11)23-5/h6-8,12,14H,9H2,1-5H3,(H,19,20)/t12-,14?/m0/s1
InChIKeyFDCPWUAGYSZQNP-NBFOIZRFSA-N
MW353.37 g/mol
LogP2.42
Rot. Bonds4

About (4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid

(4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid (PubChem CID 67710515) has the molecular formula C17H23NO7 and a molecular weight of 353.37 g/mol. Its IUPAC name is (4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
PubChem CID67710515
Molecular FormulaC17H23NO7
Molecular Weight353.37 g/mol
Exact Mass353.15
IUPAC Name(4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
SMILESCOc1ccc(C2OC[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C17H23NO7/c1-17(2,3)25-16(21)18-12(15(19)20)9-24-14(18)11-7-6-10(22-4)8-13(11)23-5/h6-8,12,14H,9H2,1-5H3,(H,19,20)/t12-,14?/m0/s1
InChIKeyFDCPWUAGYSZQNP-NBFOIZRFSA-N
XLogP2.42
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-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 (4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid (CID 67710515) is (4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid is COc1ccc(C2OC[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(OC)c1.
What is the InChIKey of (4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is FDCPWUAGYSZQNP-NBFOIZRFSA-N. The full InChI is InChI=1S/C17H23NO7/c1-17(2,3)25-16(21)18-12(15(19)20)9-24-14(18)11-7-6-10(22-4)8-13(11)23-5/h6-8,12,14H,9H2,1-5H3,(H,19,20)/t12-,14?/m0/s1.
What are the key properties of (4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid?
(4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 353.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 67710515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).