2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid

C16H20N2O3 — CID 79270849

IUPAC2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-3-8-17(11-15(19)20)16(21)18-10-12(2)9-13-6-4-5-7-14(13)18/h3-7,12H,1,8-11H2,2H3,(H,19,20)
InChIKeyLFMXANOGFNNHCK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.38
Rot. Bonds4

About 2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid

2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid (PubChem CID 79270849) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid
PubChem CID79270849
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-3-8-17(11-15(19)20)16(21)18-10-12(2)9-13-6-4-5-7-14(13)18/h3-7,12H,1,8-11H2,2H3,(H,19,20)
InChIKeyLFMXANOGFNNHCK-UHFFFAOYSA-N
XLogP2.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid (CID 79270849) is 2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N1CC(C)Cc2ccccc21.
What is the InChIKey of 2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid?
The InChIKey is LFMXANOGFNNHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-8-17(11-15(19)20)16(21)18-10-12(2)9-13-6-4-5-7-14(13)18/h3-7,12H,1,8-11H2,2H3,(H,19,20).
What are the key properties of 2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid?
2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79270849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).