2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid

C11H14N2O3 — CID 114897299

IUPAC2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
SMILESCC(C(=O)O)C(=O)NCCc1ccccn1
InChIInChI=1S/C11H14N2O3/c1-8(11(15)16)10(14)13-7-5-9-4-2-3-6-12-9/h2-4,6,8H,5,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyVOEDOEKFDHJAQJ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.46
Rot. Bonds5

About 2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid

2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid (PubChem CID 114897299) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
PubChem CID114897299
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
SMILESCC(C(=O)O)C(=O)NCCc1ccccn1
InChIInChI=1S/C11H14N2O3/c1-8(11(15)16)10(14)13-7-5-9-4-2-3-6-12-9/h2-4,6,8H,5,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyVOEDOEKFDHJAQJ-UHFFFAOYSA-N
XLogP0.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide
CID 62876524
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid
CID 61184520
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
2-(2-pyridin-2-ylethylsulfamoyl)propanoic acid
CID 54947851
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
N-phenyl-2-(2-pyridin-2-ylethylamino)propanamide
CID 43083637

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid?
The IUPAC name of 2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid (CID 114897299) is 2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid is CC(C(=O)O)C(=O)NCCc1ccccn1.
What is the InChIKey of 2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid?
The InChIKey is VOEDOEKFDHJAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(11(15)16)10(14)13-7-5-9-4-2-3-6-12-9/h2-4,6,8H,5,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid?
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid is sourced from PubChem (CID 114897299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).