2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid

C15H14N2O3 — CID 79265584

IUPAC2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H14N2O3/c1-2-9-17(10-14(18)19)15(20)13-8-7-11-5-3-4-6-12(11)16-13/h2-8H,1,9-10H2,(H,18,19)
InChIKeyOEVBHUBRPNHKCT-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.95
Rot. Bonds5

About 2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid

2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid (PubChem CID 79265584) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid
PubChem CID79265584
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H14N2O3/c1-2-9-17(10-14(18)19)15(20)13-8-7-11-5-3-4-6-12(11)16-13/h2-8H,1,9-10H2,(H,18,19)
InChIKeyOEVBHUBRPNHKCT-UHFFFAOYSA-N
XLogP1.95
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid (CID 79265584) is 2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)c1ccc2ccccc2n1.
What is the InChIKey of 2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid?
The InChIKey is OEVBHUBRPNHKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-9-17(10-14(18)19)15(20)13-8-7-11-5-3-4-6-12(11)16-13/h2-8H,1,9-10H2,(H,18,19).
What are the key properties of 2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid?
2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid has a molecular weight of 270.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 79265584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).