2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid

C16H16N2O3 — CID 107147088

IUPAC2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid
SMILESCc1cccnc1CC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-11-6-5-9-17-13(11)10-14(19)18-15(16(20)21)12-7-3-2-4-8-12/h2-9,15H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyJPXVHJKEADSMKM-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.87
Rot. Bonds5

About 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid

2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid (PubChem CID 107147088) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid
PubChem CID107147088
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid
SMILESCc1cccnc1CC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-11-6-5-9-17-13(11)10-14(19)18-15(16(20)21)12-7-3-2-4-8-12/h2-9,15H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyJPXVHJKEADSMKM-UHFFFAOYSA-N
XLogP1.87
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid
CID 107147287
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
N-(1-aminopropan-2-yl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148434
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 107147066
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
N-[(2R)-1-hydroxybutan-2-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148274
5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid
CID 107147311
3-(1H-imidazol-5-yl)-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
CID 107864180
3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid
CID 107147232
2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid (CID 107147088) is 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid is Cc1cccnc1CC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is JPXVHJKEADSMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-6-5-9-17-13(11)10-14(19)18-15(16(20)21)12-7-3-2-4-8-12/h2-9,15H,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid?
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 284.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 107147088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).