methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate

C24H25NO3S — CID 25014750

IUPACmethyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate
SMILESCOC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H25NO3S/c1-27-21-15-13-20(14-16-21)24(18-9-5-3-6-10-18,19-11-7-4-8-12-19)29-17-22(25)23(26)28-2/h3-16,22H,17,25H2,1-2H3/t22-/m0/s1
InChIKeyJINSIHHRPCXDRA-QFIPXVFZSA-N
MW407.54 g/mol
LogP4.22
Rot. Bonds8

About methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate

methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate (PubChem CID 25014750) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate
PubChem CID25014750
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Namemethyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate
SMILESCOC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H25NO3S/c1-27-21-15-13-20(14-16-21)24(18-9-5-3-6-10-18,19-11-7-4-8-12-19)29-17-22(25)23(26)28-2/h3-16,22H,17,25H2,1-2H3/t22-/m0/s1
InChIKeyJINSIHHRPCXDRA-QFIPXVFZSA-N
XLogP4.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate?
The IUPAC name of methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate (CID 25014750) is methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate?
The canonical SMILES for methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate is COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate?
The InChIKey is JINSIHHRPCXDRA-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-27-21-15-13-20(14-16-21)24(18-9-5-3-6-10-18,19-11-7-4-8-12-19)29-17-22(25)23(26)28-2/h3-16,22H,17,25H2,1-2H3/t22-/m0/s1.
What are the key properties of methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate?
methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate has a molecular weight of 407.54 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate is sourced from PubChem (CID 25014750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).