(2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid

C24H25NO3S — CID 174938778

IUPAC(2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid
SMILESCCOc1ccccc1C(N[C@@H](CS)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO3S/c1-2-28-22-16-10-9-15-20(22)24(18-11-5-3-6-12-18,19-13-7-4-8-14-19)25-21(17-29)23(26)27/h3-16,21,25,29H,2,17H2,1H3,(H,26,27)/t21-/m0/s1
InChIKeyNAQKELTVHZUFMC-NRFANRHFSA-N
MW407.54 g/mol
LogP4.35
Rot. Bonds9

About (2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid

(2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid (PubChem CID 174938778) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is (2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid
PubChem CID174938778
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name(2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid
SMILESCCOc1ccccc1C(N[C@@H](CS)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO3S/c1-2-28-22-16-10-9-15-20(22)24(18-11-5-3-6-12-18,19-13-7-4-8-14-19)25-21(17-29)23(26)27/h3-16,21,25,29H,2,17H2,1H3,(H,26,27)/t21-/m0/s1
InChIKeyNAQKELTVHZUFMC-NRFANRHFSA-N
XLogP4.35
TPSA58.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic 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 (2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid (CID 174938778) is (2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid is CCOc1ccccc1C(N[C@@H](CS)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid?
The InChIKey is NAQKELTVHZUFMC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-2-28-22-16-10-9-15-20(22)24(18-11-5-3-6-12-18,19-13-7-4-8-14-19)25-21(17-29)23(26)27/h3-16,21,25,29H,2,17H2,1H3,(H,26,27)/t21-/m0/s1.
What are the key properties of (2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid?
(2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid has a molecular weight of 407.54 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2-ethoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid is sourced from PubChem (CID 174938778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).