methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate

C32H33NO5 — CID 67998750

IUPACmethyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate
SMILESCOCOc1ccccc1COC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC
InChIInChI=1S/C32H33NO5/c1-35-24-38-30-21-13-12-14-25(30)22-37-23-29(31(34)36-2)33-32(26-15-6-3-7-16-26,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-21,29,33H,22-24H2,1-2H3/t29-/m0/s1
InChIKeySBFZLXSOAPEFDW-LJAQVGFWSA-N
MW511.62 g/mol
LogP5.31
Rot. Bonds13

About methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate

methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate (PubChem CID 67998750) has the molecular formula C32H33NO5 and a molecular weight of 511.62 g/mol. Its IUPAC name is methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate
PubChem CID67998750
Molecular FormulaC32H33NO5
Molecular Weight511.62 g/mol
Exact Mass511.24
IUPAC Namemethyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate
SMILESCOCOc1ccccc1COC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC
InChIInChI=1S/C32H33NO5/c1-35-24-38-30-21-13-12-14-25(30)22-37-23-29(31(34)36-2)33-32(26-15-6-3-7-16-26,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-21,29,33H,22-24H2,1-2H3/t29-/m0/s1
InChIKeySBFZLXSOAPEFDW-LJAQVGFWSA-N
XLogP5.31
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-3-octoxy-2-(tritylamino)propanoate
CID 10863686
methyl (2S)-3-[(3-cyanophenyl)methoxy]-2-(tritylamino)propanoate
CID 67997896
methyl 3-(3-fluorophenoxy)-2-(tritylamino)propanoate
CID 118862708
methyl 3-[2-(methoxymethoxy)phenyl]-2-phenylsulfanylpropanoate
CID 174405028
ethyl 3-phenoxy-2-(tritylamino)propanoate
CID 22961284
(2R)-3-[(2-methoxyphenyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 69276432
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
methyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-2-(tritylamino)propanoate
CID 66995569
(2R)-4-methoxy-2-(tritylamino)butanoic acid
CID 51341708
[5-methoxy-2,5-dioxo-4-(tritylamino)pentyl]phosphonic acid
CID 23187092
methyl (2S)-3-(1-bromoisoquinolin-4-yl)-2-(tritylamino)propanoate
CID 147964837
1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471032

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate?
The IUPAC name of methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate (CID 67998750) is methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate?
The canonical SMILES for methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate is COCOc1ccccc1COC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate?
The InChIKey is SBFZLXSOAPEFDW-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H33NO5/c1-35-24-38-30-21-13-12-14-25(30)22-37-23-29(31(34)36-2)33-32(26-15-6-3-7-16-26,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-21,29,33H,22-24H2,1-2H3/t29-/m0/s1.
What are the key properties of methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate?
methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate has a molecular weight of 511.62 g/mol, XLogP of 5.31, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[[2-(methoxymethoxy)phenyl]methoxy]-2-(tritylamino)propanoate is sourced from PubChem (CID 67998750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).