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3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid

C20H23FN2O3 — CID 120516515

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C20H23FN2O3/c1-12(2)11-23(8-7-19(24)25)20(26)16-10-18(13-3-4-13)22-17-6-5-14(21)9-15(16)17/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,24,25)
InChIKeyMTCHQEONTZGGFY-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.82
Rot. Bonds7

About 3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid

3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid (PubChem CID 120516515) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
PubChem CID120516515
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C20H23FN2O3/c1-12(2)11-23(8-7-19(24)25)20(26)16-10-18(13-3-4-13)22-17-6-5-14(21)9-15(16)17/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,24,25)
InChIKeyMTCHQEONTZGGFY-UHFFFAOYSA-N
XLogP3.82
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid (CID 120516515) is 3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of 3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The InChIKey is MTCHQEONTZGGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-12(2)11-23(8-7-19(24)25)20(26)16-10-18(13-3-4-13)22-17-6-5-14(21)9-15(16)17/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,24,25).
What are the key properties of 3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid?
3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid has a molecular weight of 358.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 120516515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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