(2S)-2-azido-3-quinolin-6-ylpropanoic acid

C12H10N4O2 — CID 155588272

IUPAC(2S)-2-azido-3-quinolin-6-ylpropanoic acid
SMILES[N-]=[N+]=N[C@@H](Cc1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C12H10N4O2/c13-16-15-11(12(17)18)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-6,11H,7H2,(H,17,18)/t11-/m0/s1
InChIKeyUPVQUGUFTXMZMH-NSHDSACASA-N
MW242.24 g/mol
LogP2.54
Rot. Bonds4

About (2S)-2-azido-3-quinolin-6-ylpropanoic acid

(2S)-2-azido-3-quinolin-6-ylpropanoic acid (PubChem CID 155588272) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is (2S)-2-azido-3-quinolin-6-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-azido-3-quinolin-6-ylpropanoic acid
PubChem CID155588272
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name(2S)-2-azido-3-quinolin-6-ylpropanoic acid
SMILES[N-]=[N+]=N[C@@H](Cc1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C12H10N4O2/c13-16-15-11(12(17)18)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-6,11H,7H2,(H,17,18)/t11-/m0/s1
InChIKeyUPVQUGUFTXMZMH-NSHDSACASA-N
XLogP2.54
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-azido-3-(3,4-dimethoxyphenyl)propanoic acid
CID 170206391
2-methyl-3-oxo-3-phenylpropanoic acid;6-(2-methylpropyl)quinoline
CID 70351332
2-phenyl-3-quinolin-6-ylpropan-1-amine
CID 81222399
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
CID 55007348
1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
CID 79425635
2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
CID 21356519
(2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
CID 54018599
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
N-propyl-2-(quinolin-6-ylmethylamino)propanamide
CID 60659073
(2S)-2-azido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 66519979
4-(quinolin-6-ylmethyldiazenyl)benzoic acid
CID 91899522
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azido-3-quinolin-6-ylpropanoic acid?
The IUPAC name of (2S)-2-azido-3-quinolin-6-ylpropanoic acid (CID 155588272) is (2S)-2-azido-3-quinolin-6-ylpropanoic acid.
What is the SMILES notation for (2S)-2-azido-3-quinolin-6-ylpropanoic acid?
The canonical SMILES for (2S)-2-azido-3-quinolin-6-ylpropanoic acid is [N-]=[N+]=N[C@@H](Cc1ccc2ncccc2c1)C(=O)O.
What is the InChIKey of (2S)-2-azido-3-quinolin-6-ylpropanoic acid?
The InChIKey is UPVQUGUFTXMZMH-NSHDSACASA-N. The full InChI is InChI=1S/C12H10N4O2/c13-16-15-11(12(17)18)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-6,11H,7H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-azido-3-quinolin-6-ylpropanoic acid?
(2S)-2-azido-3-quinolin-6-ylpropanoic acid has a molecular weight of 242.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azido-3-quinolin-6-ylpropanoic acid is sourced from PubChem (CID 155588272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).