2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid

C13H14N2O4 — CID 13342139

IUPAC2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid
SMILESCOc1ccc(CC(N)C(=O)O)c2ccc(=O)[nH]c12
InChIInChI=1S/C13H14N2O4/c1-19-10-4-2-7(6-9(14)13(17)18)8-3-5-11(16)15-12(8)10/h2-5,9H,6,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyCMZLUOVITCPPAV-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.49
Rot. Bonds4

About 2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid

2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid (PubChem CID 13342139) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid
PubChem CID13342139
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid
SMILESCOc1ccc(CC(N)C(=O)O)c2ccc(=O)[nH]c12
InChIInChI=1S/C13H14N2O4/c1-19-10-4-2-7(6-9(14)13(17)18)8-3-5-11(16)15-12(8)10/h2-5,9H,6,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyCMZLUOVITCPPAV-UHFFFAOYSA-N
XLogP0.49
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-3-(7-methoxy-4-methyl-1H-indol-3-yl)propanoic acid
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(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
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(2S)-2-amino-3-(7-methoxy-4-nitro-1H-indol-3-yl)propanoic acid
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(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
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5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid (CID 13342139) is 2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid is COc1ccc(CC(N)C(=O)O)c2ccc(=O)[nH]c12.
What is the InChIKey of 2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid?
The InChIKey is CMZLUOVITCPPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-19-10-4-2-7(6-9(14)13(17)18)8-3-5-11(16)15-12(8)10/h2-5,9H,6,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid?
2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid is sourced from PubChem (CID 13342139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).