2-(quinolin-8-ylmethylamino)propanoic acid

C13H14N2O2 — CID 43467362

IUPAC2-(quinolin-8-ylmethylamino)propanoic acid
SMILESCC(NCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C13H14N2O2/c1-9(13(16)17)15-8-11-5-2-4-10-6-3-7-14-12(10)11/h2-7,9,15H,8H2,1H3,(H,16,17)
InChIKeyUJLUNOKCZCSITA-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.80
Rot. Bonds4

About 2-(quinolin-8-ylmethylamino)propanoic acid

2-(quinolin-8-ylmethylamino)propanoic acid (PubChem CID 43467362) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(quinolin-8-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-(quinolin-8-ylmethylamino)propanoic acid
PubChem CID43467362
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(quinolin-8-ylmethylamino)propanoic acid
SMILESCC(NCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C13H14N2O2/c1-9(13(16)17)15-8-11-5-2-4-10-6-3-7-14-12(10)11/h2-7,9,15H,8H2,1H3,(H,16,17)
InChIKeyUJLUNOKCZCSITA-UHFFFAOYSA-N
XLogP1.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide
CID 81428182
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83193919
(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83191619
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 124823553
2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 62893418
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-8-ylmethylamino)propanoic acid?
The IUPAC name of 2-(quinolin-8-ylmethylamino)propanoic acid (CID 43467362) is 2-(quinolin-8-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-(quinolin-8-ylmethylamino)propanoic acid?
The canonical SMILES for 2-(quinolin-8-ylmethylamino)propanoic acid is CC(NCc1cccc2cccnc12)C(=O)O.
What is the InChIKey of 2-(quinolin-8-ylmethylamino)propanoic acid?
The InChIKey is UJLUNOKCZCSITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(13(16)17)15-8-11-5-2-4-10-6-3-7-14-12(10)11/h2-7,9,15H,8H2,1H3,(H,16,17).
What are the key properties of 2-(quinolin-8-ylmethylamino)propanoic acid?
2-(quinolin-8-ylmethylamino)propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-8-ylmethylamino)propanoic acid is sourced from PubChem (CID 43467362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).