(2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid

C17H19N3O4 — CID 54018599

IUPAC(2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccc2ncccc2c1)NC(=O)N1CCOCC1
InChIInChI=1S/C17H19N3O4/c21-16(22)15(19-17(23)20-6-8-24-9-7-20)11-12-3-4-14-13(10-12)2-1-5-18-14/h1-5,10,15H,6-9,11H2,(H,19,23)(H,21,22)/t15-/m1/s1
InChIKeyKXIOIURSBQBWRE-OAHLLOKOSA-N
MW329.36 g/mol
LogP1.27
Rot. Bonds4

About (2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid

(2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid (PubChem CID 54018599) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
PubChem CID54018599
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccc2ncccc2c1)NC(=O)N1CCOCC1
InChIInChI=1S/C17H19N3O4/c21-16(22)15(19-17(23)20-6-8-24-9-7-20)11-12-3-4-14-13(10-12)2-1-5-18-14/h1-5,10,15H,6-9,11H2,(H,19,23)(H,21,22)/t15-/m1/s1
InChIKeyKXIOIURSBQBWRE-OAHLLOKOSA-N
XLogP1.27
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
CID 21356519
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid
CID 18631423
2-chloro-1-morpholin-4-yl-2-quinolin-6-ylethanone
CID 63969943
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888
4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 136538713
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
(2S)-3-[4-[[3-(hydrazinylmethylideneamino)benzoyl]amino]phenyl]-2-(morpholine-4-carbonylamino)propanoic acid
CID 70071906
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid?
The IUPAC name of (2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid (CID 54018599) is (2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid.
What is the SMILES notation for (2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid?
The canonical SMILES for (2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid is O=C(O)[C@@H](Cc1ccc2ncccc2c1)NC(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid?
The InChIKey is KXIOIURSBQBWRE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-16(22)15(19-17(23)20-6-8-24-9-7-20)11-12-3-4-14-13(10-12)2-1-5-18-14/h1-5,10,15H,6-9,11H2,(H,19,23)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid?
(2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid has a molecular weight of 329.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid is sourced from PubChem (CID 54018599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).