2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid

C17H22N2O5 — CID 91768212

IUPAC2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid
SMILESO=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H22N2O5/c20-15(21)10-24-14-9-23-8-6-13(14)19-17(22)12-5-1-3-11-4-2-7-18-16(11)12/h1,3,5,13-14,18H,2,4,6-10H2,(H,19,22)(H,20,21)/t13-,14-/m1/s1
InChIKeyMDGDZBGDRAOKBL-ZIAGYGMSSA-N
MW334.37 g/mol
LogP1.03
Rot. Bonds5

About 2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid

2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid (PubChem CID 91768212) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid
PubChem CID91768212
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid
SMILESO=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H22N2O5/c20-15(21)10-24-14-9-23-8-6-13(14)19-17(22)12-5-1-3-11-4-2-7-18-16(11)12/h1,3,5,13-14,18H,2,4,6-10H2,(H,19,22)(H,20,21)/t13-,14-/m1/s1
InChIKeyMDGDZBGDRAOKBL-ZIAGYGMSSA-N
XLogP1.03
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid with MolForge

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Related Compounds

N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 91796727
2-[(3S,4R)-4-[(2-ethoxypyridine-3-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91783970
2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid
CID 91793018
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 163334228
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214906
2-[(3S,4R)-4-(1H-1,2,4-triazole-5-carbonylamino)oxan-3-yl]oxyacetic acid
CID 91795458
2-[(3S,4R)-4-[(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91793884
2-[(3R,4S)-3-[(2,3-dimethoxybenzoyl)amino]oxan-4-yl]oxyacetic acid
CID 91780909
2-[(3S,4R)-4-[[2-(2-hydroxyethyl)pyrazole-3-carbonyl]amino]oxan-3-yl]oxyacetic acid
CID 91784869
N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214552
N-[2-(cyclopropylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62212757
2-[(3S,4R)-4-[(2-propan-2-ylpyrimidine-4-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91784846

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid?
The IUPAC name of 2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid (CID 91768212) is 2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid?
The canonical SMILES for 2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid is O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1cccc2c1NCCC2.
What is the InChIKey of 2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid?
The InChIKey is MDGDZBGDRAOKBL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-15(21)10-24-14-9-23-8-6-13(14)19-17(22)12-5-1-3-11-4-2-7-18-16(11)12/h1,3,5,13-14,18H,2,4,6-10H2,(H,19,22)(H,20,21)/t13-,14-/m1/s1.
What are the key properties of 2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid?
2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid is sourced from PubChem (CID 91768212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).