2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid

C16H23NO4S — CID 175124311

IUPAC2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid
SMILESCCOc1ccc(SC2C[C@@H](C)[C@H](C(NC)C(=O)O)O2)cc1
InChIInChI=1S/C16H23NO4S/c1-4-20-11-5-7-12(8-6-11)22-13-9-10(2)15(21-13)14(17-3)16(18)19/h5-8,10,13-15,17H,4,9H2,1-3H3,(H,18,19)/t10-,13?,14?,15-/m1/s1
InChIKeySGSDFLIVLLGZRT-XLWNGVOXSA-N
MW325.43 g/mol
LogP2.60
Rot. Bonds7

About 2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid

2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid (PubChem CID 175124311) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid
PubChem CID175124311
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid
SMILESCCOc1ccc(SC2C[C@@H](C)[C@H](C(NC)C(=O)O)O2)cc1
InChIInChI=1S/C16H23NO4S/c1-4-20-11-5-7-12(8-6-11)22-13-9-10(2)15(21-13)14(17-3)16(18)19/h5-8,10,13-15,17H,4,9H2,1-3H3,(H,18,19)/t10-,13?,14?,15-/m1/s1
InChIKeySGSDFLIVLLGZRT-XLWNGVOXSA-N
XLogP2.60
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic 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 2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid?
The IUPAC name of 2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid (CID 175124311) is 2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid.
What is the SMILES notation for 2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid?
The canonical SMILES for 2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid is CCOc1ccc(SC2C[C@@H](C)[C@H](C(NC)C(=O)O)O2)cc1.
What is the InChIKey of 2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid?
The InChIKey is SGSDFLIVLLGZRT-XLWNGVOXSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-4-20-11-5-7-12(8-6-11)22-13-9-10(2)15(21-13)14(17-3)16(18)19/h5-8,10,13-15,17H,4,9H2,1-3H3,(H,18,19)/t10-,13?,14?,15-/m1/s1.
What are the key properties of 2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid?
2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid has a molecular weight of 325.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-5-(4-ethoxyphenyl)sulfanyl-3-methyloxolan-2-yl]-2-(methylamino)acetic acid is sourced from PubChem (CID 175124311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).