3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid

C14H14N2O4 — CID 110464190

IUPAC3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid
SMILESO=C(Cc1ccc2ccccc2n1)NC(CO)C(=O)O
InChIInChI=1S/C14H14N2O4/c17-8-12(14(19)20)16-13(18)7-10-6-5-9-3-1-2-4-11(9)15-10/h1-6,12,17H,7-8H2,(H,16,18)(H,19,20)
InChIKeyABTGWNXVBSBWLS-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.34
Rot. Bonds5

About 3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid

3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid (PubChem CID 110464190) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid
PubChem CID110464190
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid
SMILESO=C(Cc1ccc2ccccc2n1)NC(CO)C(=O)O
InChIInChI=1S/C14H14N2O4/c17-8-12(14(19)20)16-13(18)7-10-6-5-9-3-1-2-4-11(9)15-10/h1-6,12,17H,7-8H2,(H,16,18)(H,19,20)
InChIKeyABTGWNXVBSBWLS-UHFFFAOYSA-N
XLogP0.34
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-quinolin-2-ylacetamide
CID 110464134
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid
CID 110490402
3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
CID 110489479
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171
(2S)-2-[[methyl(quinolin-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 54394552
(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid
CID 61161925
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 82547773
N-(1-phenyl-3-quinolin-2-ylpropan-2-yl)acetamide
CID 130455232
but-2-enedioic acid;N-[3-(diethylamino)-1-phenylpropyl]-2-quinolin-2-ylacetamide
CID 67930085
1,2-di(quinolin-2-yl)ethanone
CID 24973307

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid (CID 110464190) is 3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid is O=C(Cc1ccc2ccccc2n1)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid?
The InChIKey is ABTGWNXVBSBWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-8-12(14(19)20)16-13(18)7-10-6-5-9-3-1-2-4-11(9)15-10/h1-6,12,17H,7-8H2,(H,16,18)(H,19,20).
What are the key properties of 3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid?
3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid has a molecular weight of 274.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 110464190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).