methyl 2-(benzhydrylamino)-3-hydroxypropanoate

C17H19NO3 — CID 85353682

IUPACmethyl 2-(benzhydrylamino)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-21-17(20)15(12-19)18-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-16,18-19H,12H2,1H3
InChIKeyUBTOQPRJQURMMZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.90
Rot. Bonds6

About methyl 2-(benzhydrylamino)-3-hydroxypropanoate

methyl 2-(benzhydrylamino)-3-hydroxypropanoate (PubChem CID 85353682) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 2-(benzhydrylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(benzhydrylamino)-3-hydroxypropanoate
PubChem CID85353682
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 2-(benzhydrylamino)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-21-17(20)15(12-19)18-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-16,18-19H,12H2,1H3
InChIKeyUBTOQPRJQURMMZ-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzhydrylamino)-3-hydroxypropanoate?
The IUPAC name of methyl 2-(benzhydrylamino)-3-hydroxypropanoate (CID 85353682) is methyl 2-(benzhydrylamino)-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-(benzhydrylamino)-3-hydroxypropanoate?
The canonical SMILES for methyl 2-(benzhydrylamino)-3-hydroxypropanoate is COC(=O)C(CO)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(benzhydrylamino)-3-hydroxypropanoate?
The InChIKey is UBTOQPRJQURMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-17(20)15(12-19)18-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-16,18-19H,12H2,1H3.
What are the key properties of methyl 2-(benzhydrylamino)-3-hydroxypropanoate?
methyl 2-(benzhydrylamino)-3-hydroxypropanoate has a molecular weight of 285.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzhydrylamino)-3-hydroxypropanoate is sourced from PubChem (CID 85353682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).