methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate

C14H14N2O4 — CID 43422482

IUPACmethyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H14N2O4/c1-20-14(19)12(8-17)16-13(18)10-4-2-6-11-9(10)5-3-7-15-11/h2-7,12,17H,8H2,1H3,(H,16,18)
InChIKeyKUSOLGRJJVHOMF-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.50
Rot. Bonds4

About methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate

methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate (PubChem CID 43422482) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
PubChem CID43422482
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H14N2O4/c1-20-14(19)12(8-17)16-13(18)10-4-2-6-11-9(10)5-3-7-15-11/h2-7,12,17H,8H2,1H3,(H,16,18)
InChIKeyKUSOLGRJJVHOMF-UHFFFAOYSA-N
XLogP0.50
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436
N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
CID 115770742
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate
CID 60607922
N-(1-aminobutan-2-yl)quinoline-5-carboxamide
CID 63755174
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
(2S,3R)-3-hydroxy-2-(quinoline-5-carbonylamino)butanoic acid
CID 104964931
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605
N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
CID 112550935
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate (CID 43422482) is methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate is COC(=O)C(CO)NC(=O)c1cccc2ncccc12.
What is the InChIKey of methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate?
The InChIKey is KUSOLGRJJVHOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-14(19)12(8-17)16-13(18)10-4-2-6-11-9(10)5-3-7-15-11/h2-7,12,17H,8H2,1H3,(H,16,18).
What are the key properties of methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate?
methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate has a molecular weight of 274.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate is sourced from PubChem (CID 43422482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).