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

C23H23NO3S — CID 67126813

IUPAC(2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
SMILESCOc1ccccc1C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-27-21-15-9-8-14-19(21)23(17-10-4-2-5-11-17,18-12-6-3-7-13-18)28-16-20(24)22(25)26/h2-15,20H,16,24H2,1H3,(H,25,26)/t20-/m0/s1
InChIKeyJXHSXGOKAZHPKB-FQEVSTJZSA-N
MW393.51 g/mol
LogP4.13
Rot. Bonds8

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

(2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid (PubChem CID 67126813) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
PubChem CID67126813
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name(2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
SMILESCOc1ccccc1C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-27-21-15-9-8-14-19(21)23(17-10-4-2-5-11-17,18-12-6-3-7-13-18)28-16-20(24)22(25)26/h2-15,20H,16,24H2,1H3,(H,25,26)/t20-/m0/s1
InChIKeyJXHSXGOKAZHPKB-FQEVSTJZSA-N
XLogP4.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid (CID 67126813) is (2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid is COc1ccccc1C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid?
The InChIKey is JXHSXGOKAZHPKB-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-27-21-15-9-8-14-19(21)23(17-10-4-2-5-11-17,18-12-6-3-7-13-18)28-16-20(24)22(25)26/h2-15,20H,16,24H2,1H3,(H,25,26)/t20-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid has a molecular weight of 393.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid is sourced from PubChem (CID 67126813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).