methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate

C26H29NO6 — CID 18323567

IUPACmethyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(CO)NC(c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C26H29NO6/c1-30-22-14-8-5-11-18(22)26(27-21(17-28)25(29)33-4,19-12-6-9-15-23(19)31-2)20-13-7-10-16-24(20)32-3/h5-16,21,27-28H,17H2,1-4H3
InChIKeyBFBOEUUDSHXSBP-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.13
Rot. Bonds10

About methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate

methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate (PubChem CID 18323567) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate
PubChem CID18323567
Molecular FormulaC26H29NO6
Molecular Weight451.52 g/mol
Exact Mass451.20
IUPAC Namemethyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(CO)NC(c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C26H29NO6/c1-30-22-14-8-5-11-18(22)26(27-21(17-28)25(29)33-4,19-12-6-9-15-23(19)31-2)20-13-7-10-16-24(20)32-3/h5-16,21,27-28H,17H2,1-4H3
InChIKeyBFBOEUUDSHXSBP-UHFFFAOYSA-N
XLogP3.13
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
CID 117244498
2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid
CID 22456431
3-(2-methoxyphenyl)-3-(methylamino)butanamide
CID 65236411
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
2,2-bis(2-methoxyphenyl)propanediamide
CID 118221758
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
1,2-dimethoxybenzene;methyl 2-acetamido-4-methylpentanoate
CID 174673868
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate (CID 18323567) is methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate is COC(=O)C(CO)NC(c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC.
What is the InChIKey of methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate?
The InChIKey is BFBOEUUDSHXSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO6/c1-30-22-14-8-5-11-18(22)26(27-21(17-28)25(29)33-4,19-12-6-9-15-23(19)31-2)20-13-7-10-16-24(20)32-3/h5-16,21,27-28H,17H2,1-4H3.
What are the key properties of methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate?
methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate has a molecular weight of 451.52 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate is sourced from PubChem (CID 18323567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).