methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate

C17H18N2O3 — CID 95190825

IUPACmethyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)Cc1ccncc1)c1cccc(C)c1
InChIInChI=1S/C17H18N2O3/c1-12-4-3-5-14(10-12)16(17(21)22-2)19-15(20)11-13-6-8-18-9-7-13/h3-10,16H,11H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyAXCDNCGVTRDVHF-MRXNPFEDSA-N
MW298.34 g/mol
LogP1.96
Rot. Bonds5

About methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate

methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate (PubChem CID 95190825) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate
PubChem CID95190825
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)Cc1ccncc1)c1cccc(C)c1
InChIInChI=1S/C17H18N2O3/c1-12-4-3-5-14(10-12)16(17(21)22-2)19-15(20)11-13-6-8-18-9-7-13/h3-10,16H,11H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyAXCDNCGVTRDVHF-MRXNPFEDSA-N
XLogP1.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate?
The IUPAC name of methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate (CID 95190825) is methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate.
What is the SMILES notation for methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate?
The canonical SMILES for methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate is COC(=O)[C@H](NC(=O)Cc1ccncc1)c1cccc(C)c1.
What is the InChIKey of methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate?
The InChIKey is AXCDNCGVTRDVHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-4-3-5-14(10-12)16(17(21)22-2)19-15(20)11-13-6-8-18-9-7-13/h3-10,16H,11H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate?
methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate has a molecular weight of 298.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3-methylphenyl)-2-[(2-pyridin-4-ylacetyl)amino]acetate is sourced from PubChem (CID 95190825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).