4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid

C15H20N2O3 — CID 61183225

IUPAC4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
SMILESCC1CCc2ccccc2N1C(=O)NCCCC(=O)O
InChIInChI=1S/C15H20N2O3/c1-11-8-9-12-5-2-3-6-13(12)17(11)15(20)16-10-4-7-14(18)19/h2-3,5-6,11H,4,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyGSJSDWGXVWRYRO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.40
Rot. Bonds4

About 4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid

4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid (PubChem CID 61183225) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
PubChem CID61183225
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
SMILESCC1CCc2ccccc2N1C(=O)NCCCC(=O)O
InChIInChI=1S/C15H20N2O3/c1-11-8-9-12-5-2-3-6-13(12)17(11)15(20)16-10-4-7-14(18)19/h2-3,5-6,11H,4,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyGSJSDWGXVWRYRO-UHFFFAOYSA-N
XLogP2.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid (CID 61183225) is 4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid is CC1CCc2ccccc2N1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid?
The InChIKey is GSJSDWGXVWRYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-8-9-12-5-2-3-6-13(12)17(11)15(20)16-10-4-7-14(18)19/h2-3,5-6,11H,4,7-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid?
4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61183225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).