methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate

C16H16N2O4 — CID 10709335

IUPACmethyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc([C@H](O)c2ccccc2)cn1
InChIInChI=1S/C16H16N2O4/c1-22-14(19)10-18-16(21)13-8-7-12(9-17-13)15(20)11-5-3-2-4-6-11/h2-9,15,20H,10H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyXXQAXZOFXMDOAM-OAHLLOKOSA-N
MW300.31 g/mol
LogP1.07
Rot. Bonds5

About methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate

methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate (PubChem CID 10709335) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate
PubChem CID10709335
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namemethyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc([C@H](O)c2ccccc2)cn1
InChIInChI=1S/C16H16N2O4/c1-22-14(19)10-18-16(21)13-8-7-12(9-17-13)15(20)11-5-3-2-4-6-11/h2-9,15,20H,10H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyXXQAXZOFXMDOAM-OAHLLOKOSA-N
XLogP1.07
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate (CID 10709335) is methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1ccc([C@H](O)c2ccccc2)cn1.
What is the InChIKey of methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate?
The InChIKey is XXQAXZOFXMDOAM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-14(19)10-18-16(21)13-8-7-12(9-17-13)15(20)11-5-3-2-4-6-11/h2-9,15,20H,10H2,1H3,(H,18,21)/t15-/m1/s1.
What are the key properties of methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate?
methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate has a molecular weight of 300.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 10709335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).