methyl (2S)-3-hydroxy-2-(tritylamino)propanoate

C23H23NO3 — CID 7128367

IUPACmethyl (2S)-3-hydroxy-2-(tritylamino)propanoate
SMILESCOC(=O)[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3/c1-27-22(26)21(17-25)24-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24-25H,17H2,1H3/t21-/m0/s1
InChIKeyLXAWQKKSNNYYEK-NRFANRHFSA-N
MW361.44 g/mol
LogP3.10
Rot. Bonds7

About methyl (2S)-3-hydroxy-2-(tritylamino)propanoate

methyl (2S)-3-hydroxy-2-(tritylamino)propanoate (PubChem CID 7128367) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-(tritylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-(tritylamino)propanoate
PubChem CID7128367
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Namemethyl (2S)-3-hydroxy-2-(tritylamino)propanoate
SMILESCOC(=O)[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3/c1-27-22(26)21(17-25)24-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24-25H,17H2,1H3/t21-/m0/s1
InChIKeyLXAWQKKSNNYYEK-NRFANRHFSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.10
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 methyl (2S)-3-hydroxy-2-(tritylamino)propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-(tritylamino)propanoate (CID 7128367) is methyl (2S)-3-hydroxy-2-(tritylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-(tritylamino)propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-(tritylamino)propanoate is COC(=O)[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-3-hydroxy-2-(tritylamino)propanoate?
The InChIKey is LXAWQKKSNNYYEK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23NO3/c1-27-22(26)21(17-25)24-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24-25H,17H2,1H3/t21-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-(tritylamino)propanoate?
methyl (2S)-3-hydroxy-2-(tritylamino)propanoate has a molecular weight of 361.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-(tritylamino)propanoate is sourced from PubChem (CID 7128367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).