2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid

C12H16N2O3 — CID 55233795

IUPAC2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)c1cccnc1
InChIInChI=1S/C12H16N2O3/c1-8(2)14(9(3)15)11(12(16)17)10-5-4-6-13-7-10/h4-8,11H,1-3H3,(H,16,17)
InChIKeyVQYMLKUJKZBEPB-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.46
Rot. Bonds4

About 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid

2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid (PubChem CID 55233795) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid
PubChem CID55233795
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)c1cccnc1
InChIInChI=1S/C12H16N2O3/c1-8(2)14(9(3)15)11(12(16)17)10-5-4-6-13-7-10/h4-8,11H,1-3H3,(H,16,17)
InChIKeyVQYMLKUJKZBEPB-UHFFFAOYSA-N
XLogP1.46
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid
CID 63688516
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid
CID 63704055
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3-(dimethylamino)-2-methyl-3-pyridin-3-ylprop-1-en-1-one
CID 87271853
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
(2R)-2-(cyclopropylamino)-2-pyridin-3-ylacetic acid
CID 93280695
(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
CID 125491492

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid (CID 55233795) is 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid is CC(=O)N(C(C)C)C(C(=O)O)c1cccnc1.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid?
The InChIKey is VQYMLKUJKZBEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(2)14(9(3)15)11(12(16)17)10-5-4-6-13-7-10/h4-8,11H,1-3H3,(H,16,17).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid?
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 55233795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).