methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate

C16H15NO3 — CID 169199537

IUPACmethyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate
SMILESCOC(=O)CNC(O)c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C16H15NO3/c1-20-15(18)9-17-16(19)10-6-7-13-11-4-2-3-5-12(11)14(13)8-10/h2-8,16-17,19H,9H2,1H3
InChIKeyBYSAYLBZINEKJQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.09
Rot. Bonds4

About methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate

methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate (PubChem CID 169199537) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate
PubChem CID169199537
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate
SMILESCOC(=O)CNC(O)c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C16H15NO3/c1-20-15(18)9-17-16(19)10-6-7-13-11-4-2-3-5-12(11)14(13)8-10/h2-8,16-17,19H,9H2,1H3
InChIKeyBYSAYLBZINEKJQ-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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methyl 2-(3-propan-2-ylanilino)acetate
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methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
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methyl 2-[[(4-chlorophenyl)-(4-hydroxyphenyl)methyl]amino]acetate
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methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate?
The IUPAC name of methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate (CID 169199537) is methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate?
The canonical SMILES for methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate is COC(=O)CNC(O)c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate?
The InChIKey is BYSAYLBZINEKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-15(18)9-17-16(19)10-6-7-13-11-4-2-3-5-12(11)14(13)8-10/h2-8,16-17,19H,9H2,1H3.
What are the key properties of methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate?
methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate has a molecular weight of 269.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[biphenylen-2-yl(hydroxy)methyl]amino]acetate is sourced from PubChem (CID 169199537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).