N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide

C14H15N3O4 — CID 88968167

IUPACN-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide
SMILESCC(O)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NO
InChIInChI=1S/C14H15N3O4/c1-8(18)12(14(20)17-21)16-13(19)11-7-6-9-4-2-3-5-10(9)15-11/h2-8,12,18,21H,1H3,(H,16,19)(H,17,20)/t8?,12-/m0/s1
InChIKeyDWKJANVZZAJQBB-MYIOLCAUSA-N
MW289.29 g/mol
LogP0.22
Rot. Bonds4

About N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide

N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide (PubChem CID 88968167) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide
PubChem CID88968167
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide
SMILESCC(O)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NO
InChIInChI=1S/C14H15N3O4/c1-8(18)12(14(20)17-21)16-13(19)11-7-6-9-4-2-3-5-10(9)15-11/h2-8,12,18,21H,1H3,(H,16,19)(H,17,20)/t8?,12-/m0/s1
InChIKeyDWKJANVZZAJQBB-MYIOLCAUSA-N
XLogP0.22
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63754723
4-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxobutanoic acid
CID 138523405
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 9481673
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide
CID 9467467
N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 35069976
N-[4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]quinoline-2-carboxamide
CID 51098462
(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide (CID 88968167) is N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide is CC(O)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NO.
What is the InChIKey of N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide?
The InChIKey is DWKJANVZZAJQBB-MYIOLCAUSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8(18)12(14(20)17-21)16-13(19)11-7-6-9-4-2-3-5-10(9)15-11/h2-8,12,18,21H,1H3,(H,16,19)(H,17,20)/t8?,12-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide?
N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 88968167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).