3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid

C12H14N2O2 — CID 135412527

IUPAC3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid
SMILESO=C(O)CC/N=C1\CCc2ccccc2N1
InChIInChI=1S/C12H14N2O2/c15-12(16)7-8-13-11-6-5-9-3-1-2-4-10(9)14-11/h1-4H,5-8H2,(H,13,14)(H,15,16)
InChIKeyAIFXATVIFYWHBA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.92
Rot. Bonds3

About 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid

3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid (PubChem CID 135412527) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid
PubChem CID135412527
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid
SMILESO=C(O)CC/N=C1\CCc2ccccc2N1
InChIInChI=1S/C12H14N2O2/c15-12(16)7-8-13-11-6-5-9-3-1-2-4-10(9)14-11/h1-4H,5-8H2,(H,13,14)(H,15,16)
InChIKeyAIFXATVIFYWHBA-UHFFFAOYSA-N
XLogP1.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid?
The IUPAC name of 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid (CID 135412527) is 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid.
What is the SMILES notation for 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid?
The canonical SMILES for 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid is O=C(O)CC/N=C1\CCc2ccccc2N1.
What is the InChIKey of 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid?
The InChIKey is AIFXATVIFYWHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12(16)7-8-13-11-6-5-9-3-1-2-4-10(9)14-11/h1-4H,5-8H2,(H,13,14)(H,15,16).
What are the key properties of 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid?
3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propanoic acid is sourced from PubChem (CID 135412527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).