2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid

C16H18N2O2 — CID 103261743

IUPAC2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
SMILESCCc1cccnc1CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-12-9-6-10-17-14(12)11-18-15(16(19)20)13-7-4-3-5-8-13/h3-10,15,18H,2,11H2,1H3,(H,19,20)
InChIKeyOISKLTSPGBWAGV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds6

About 2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid

2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid (PubChem CID 103261743) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
PubChem CID103261743
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
SMILESCCc1cccnc1CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-12-9-6-10-17-14(12)11-18-15(16(19)20)13-7-4-3-5-8-13/h3-10,15,18H,2,11H2,1H3,(H,19,20)
InChIKeyOISKLTSPGBWAGV-UHFFFAOYSA-N
XLogP2.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 82737451
2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide
CID 82736524
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid
CID 107147088
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
(2S)-2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 82749098
N-(ethylcarbamoyl)-2-[(3-ethyl-2-pyridinyl)methylamino]propanamide
CID 82738463
2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
CID 62749098
2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide
CID 82739404

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid (CID 103261743) is 2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid is CCc1cccnc1CNC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid?
The InChIKey is OISKLTSPGBWAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-12-9-6-10-17-14(12)11-18-15(16(19)20)13-7-4-3-5-8-13/h3-10,15,18H,2,11H2,1H3,(H,19,20).
What are the key properties of 2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid?
2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid has a molecular weight of 270.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid is sourced from PubChem (CID 103261743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).