2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid

C17H18N2O5 — CID 120547561

IUPAC2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H18N2O5/c20-14-8-12(11-5-1-2-6-13(11)18-14)16(21)19-15(17(22)23)10-4-3-7-24-9-10/h1-2,5-6,8,10,15H,3-4,7,9H2,(H,18,20)(H,19,21)(H,22,23)
InChIKeyNWGPBMJEDVQBAR-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.14
Rot. Bonds4

About 2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid

2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid (PubChem CID 120547561) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid
PubChem CID120547561
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H18N2O5/c20-14-8-12(11-5-1-2-6-13(11)18-14)16(21)19-15(17(22)23)10-4-3-7-24-9-10/h1-2,5-6,8,10,15H,3-4,7,9H2,(H,18,20)(H,19,21)(H,22,23)
InChIKeyNWGPBMJEDVQBAR-UHFFFAOYSA-N
XLogP1.14
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547522
2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120690229
(2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129468313
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 75404517
2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548221
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-(oxan-3-yl)-2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]acetic acid
CID 120549036
2-(oxan-3-yl)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]acetic acid
CID 120548015
trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 124703895
2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid
CID 62695160

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid (CID 120547561) is 2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CCCOC1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid?
The InChIKey is NWGPBMJEDVQBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-14-8-12(11-5-1-2-6-13(11)18-14)16(21)19-15(17(22)23)10-4-3-7-24-9-10/h1-2,5-6,8,10,15H,3-4,7,9H2,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid?
2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid has a molecular weight of 330.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 120547561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).