2-(propanoylamino)-3-pyridin-2-ylpropanoic acid

C11H14N2O3 — CID 141086627

IUPAC2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
SMILESCCC(=O)NC(Cc1ccccn1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-2-10(14)13-9(11(15)16)7-8-5-3-4-6-12-8/h3-6,9H,2,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyHCDPIZRQIBCBAL-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.60
Rot. Bonds5

About 2-(propanoylamino)-3-pyridin-2-ylpropanoic acid

2-(propanoylamino)-3-pyridin-2-ylpropanoic acid (PubChem CID 141086627) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(propanoylamino)-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
PubChem CID141086627
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
SMILESCCC(=O)NC(Cc1ccccn1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-2-10(14)13-9(11(15)16)7-8-5-3-4-6-12-8/h3-6,9H,2,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyHCDPIZRQIBCBAL-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid
CID 171093339
2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid
CID 166247442
(2S)-3-phenyl-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]propanoic acid
CID 68875961
3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 114289566
(2S)-3-(4-formamidophenyl)-2-[[(2S)-2-[[(2S)-3-(4-phenylphenyl)-2-[[(2R)-2-(propanoylamino)-3-thiophen-2-ylpropanoyl]amino]propanoyl]amino]-3-pyridin-2-ylpropanoyl]amino]propanoic acid
CID 89307744
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
2-[[(2R)-3-carboxy-1-pyridin-2-ylbut-3-en-2-yl]amino]-4-methylpentanoic acid
CID 142163725
methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate
CID 25225123
ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate
CID 119035446
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-(propanoylamino)-3-pyridin-2-ylpropanoic acid (CID 141086627) is 2-(propanoylamino)-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-(propanoylamino)-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-(propanoylamino)-3-pyridin-2-ylpropanoic acid is CCC(=O)NC(Cc1ccccn1)C(=O)O.
What is the InChIKey of 2-(propanoylamino)-3-pyridin-2-ylpropanoic acid?
The InChIKey is HCDPIZRQIBCBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-10(14)13-9(11(15)16)7-8-5-3-4-6-12-8/h3-6,9H,2,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(propanoylamino)-3-pyridin-2-ylpropanoic acid?
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 141086627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).