2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride

C13H15ClN2O4 — CID 13342125

IUPAC2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
SMILESCOc1ccc2[nH]c(=O)c(CC(N)C(=O)O)cc2c1.Cl
InChIInChI=1S/C13H14N2O4.ClH/c1-19-9-2-3-11-7(5-9)4-8(12(16)15-11)6-10(14)13(17)18;/h2-5,10H,6,14H2,1H3,(H,15,16)(H,17,18);1H
InChIKeyBYEIWWHJEJCNKE-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.91
Rot. Bonds4

About 2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride

2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride (PubChem CID 13342125) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
PubChem CID13342125
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
SMILESCOc1ccc2[nH]c(=O)c(CC(N)C(=O)O)cc2c1.Cl
InChIInChI=1S/C13H14N2O4.ClH/c1-19-9-2-3-11-7(5-9)4-8(12(16)15-11)6-10(14)13(17)18;/h2-5,10H,6,14H2,1H3,(H,15,16)(H,17,18);1H
InChIKeyBYEIWWHJEJCNKE-UHFFFAOYSA-N
XLogP0.91
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide
CID 907840
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
CID 1427706
3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride
CID 170889697
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241
2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
CID 82626061
2-amino-3-(5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142423
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
N,N-diethyl-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174783

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride (CID 13342125) is 2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride is COc1ccc2[nH]c(=O)c(CC(N)C(=O)O)cc2c1.Cl.
What is the InChIKey of 2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride?
The InChIKey is BYEIWWHJEJCNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4.ClH/c1-19-9-2-3-11-7(5-9)4-8(12(16)15-11)6-10(14)13(17)18;/h2-5,10H,6,14H2,1H3,(H,15,16)(H,17,18);1H.
What are the key properties of 2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride?
2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride has a molecular weight of 298.73 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 13342125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).