2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid

C15H15N3O3 — CID 79269945

IUPAC2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H15N3O3/c1-2-9-18(10-13(19)20)15(21)17-12-7-3-5-11-6-4-8-16-14(11)12/h2-8H,1,9-10H2,(H,17,21)(H,19,20)
InChIKeyLQCNWLXXGMXQDD-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.34
Rot. Bonds5

About 2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid

2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid (PubChem CID 79269945) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid
PubChem CID79269945
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H15N3O3/c1-2-9-18(10-13(19)20)15(21)17-12-7-3-5-11-6-4-8-16-14(11)12/h2-8H,1,9-10H2,(H,17,21)(H,19,20)
InChIKeyLQCNWLXXGMXQDD-UHFFFAOYSA-N
XLogP2.34
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-tert-butylphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79270854
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
2-[(2,4-difluorophenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79264322
2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid
CID 107438962
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-[bis(prop-2-enyl)carbamoylamino]benzoic acid
CID 61193629
2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide
CID 175955746
2-[[4-(dimethylamino)phenyl]carbamoyl-prop-2-enylamino]acetic acid
CID 79277046
2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 79276710
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid (CID 79269945) is 2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid?
The InChIKey is LQCNWLXXGMXQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-9-18(10-13(19)20)15(21)17-12-7-3-5-11-6-4-8-16-14(11)12/h2-8H,1,9-10H2,(H,17,21)(H,19,20).
What are the key properties of 2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid?
2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79269945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).