3-formamido-3-quinolin-2-ylpropanoic acid

C13H12N2O3 — CID 64956181

IUPAC3-formamido-3-quinolin-2-ylpropanoic acid
SMILESO=CNC(CC(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C13H12N2O3/c16-8-14-12(7-13(17)18)11-6-5-9-3-1-2-4-10(9)15-11/h1-6,8,12H,7H2,(H,14,16)(H,17,18)
InChIKeyDJNPUSBTHCWXTF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.50
Rot. Bonds5

About 3-formamido-3-quinolin-2-ylpropanoic acid

3-formamido-3-quinolin-2-ylpropanoic acid (PubChem CID 64956181) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-formamido-3-quinolin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-formamido-3-quinolin-2-ylpropanoic acid
PubChem CID64956181
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-formamido-3-quinolin-2-ylpropanoic acid
SMILESO=CNC(CC(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C13H12N2O3/c16-8-14-12(7-13(17)18)11-6-5-9-3-1-2-4-10(9)15-11/h1-6,8,12H,7H2,(H,14,16)(H,17,18)
InChIKeyDJNPUSBTHCWXTF-UHFFFAOYSA-N
XLogP1.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-bromo-3-quinolin-2-ylpropanoic acid
CID 154268355
(3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid
CID 105378957
(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid
CID 78961885
N-methyl-3-methylidene-1-quinolin-2-ylpentan-1-amine
CID 66036857
(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79978313
1-quinolin-2-ylbut-3-enylhydrazine
CID 105218718
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
3-[(quinolin-2-ylamino)methyl]pentanoic acid
CID 81067138
ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927
4-methyl-3-[[(E)-3-quinolin-2-ylprop-2-enoyl]amino]pentanoic acid
CID 139018264
(E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid
CID 22926278

Frequently Asked Questions

What is the IUPAC name of 3-formamido-3-quinolin-2-ylpropanoic acid?
The IUPAC name of 3-formamido-3-quinolin-2-ylpropanoic acid (CID 64956181) is 3-formamido-3-quinolin-2-ylpropanoic acid.
What is the SMILES notation for 3-formamido-3-quinolin-2-ylpropanoic acid?
The canonical SMILES for 3-formamido-3-quinolin-2-ylpropanoic acid is O=CNC(CC(=O)O)c1ccc2ccccc2n1.
What is the InChIKey of 3-formamido-3-quinolin-2-ylpropanoic acid?
The InChIKey is DJNPUSBTHCWXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-8-14-12(7-13(17)18)11-6-5-9-3-1-2-4-10(9)15-11/h1-6,8,12H,7H2,(H,14,16)(H,17,18).
What are the key properties of 3-formamido-3-quinolin-2-ylpropanoic acid?
3-formamido-3-quinolin-2-ylpropanoic acid has a molecular weight of 244.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-3-quinolin-2-ylpropanoic acid is sourced from PubChem (CID 64956181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).