2-(methylamino)-3-quinolin-7-yloxypropanoic acid

C13H14N2O3 — CID 107314757

IUPAC2-(methylamino)-3-quinolin-7-yloxypropanoic acid
SMILESCNC(COc1ccc2cccnc2c1)C(=O)O
InChIInChI=1S/C13H14N2O3/c1-14-12(13(16)17)8-18-10-5-4-9-3-2-6-15-11(9)7-10/h2-7,12,14H,8H2,1H3,(H,16,17)
InChIKeyCWWDFIYAFYQSED-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.29
Rot. Bonds5

About 2-(methylamino)-3-quinolin-7-yloxypropanoic acid

2-(methylamino)-3-quinolin-7-yloxypropanoic acid (PubChem CID 107314757) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(methylamino)-3-quinolin-7-yloxypropanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-quinolin-7-yloxypropanoic acid
PubChem CID107314757
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(methylamino)-3-quinolin-7-yloxypropanoic acid
SMILESCNC(COc1ccc2cccnc2c1)C(=O)O
InChIInChI=1S/C13H14N2O3/c1-14-12(13(16)17)8-18-10-5-4-9-3-2-6-15-11(9)7-10/h2-7,12,14H,8H2,1H3,(H,16,17)
InChIKeyCWWDFIYAFYQSED-UHFFFAOYSA-N
XLogP1.29
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-quinolin-7-yloxybutanoic acid
CID 107313050
3-(3-ethoxyphenoxy)-2-(methylamino)propanoic acid
CID 62337887
2-(methylamino)-4-quinolin-7-yloxybutan-1-ol
CID 107315572
7-(2,2-diethoxyethoxy)quinoline
CID 107314200
N-methyl-2-quinolin-7-yloxypropan-1-amine
CID 107313762
methyl 2-methyl-2-(methylamino)-3-quinolin-7-yloxypropanoate
CID 107314668
3-quinolin-7-yloxypropanal
CID 107314214
3-(4-benzylphenoxy)-2-(methylamino)propanoic acid
CID 62273170
2-quinolin-7-yloxyacetohydrazide
CID 107315402
quinolin-7-yl N,N-diethylcarbamate
CID 11334036
1-ethyl-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580309
7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434593

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-quinolin-7-yloxypropanoic acid?
The IUPAC name of 2-(methylamino)-3-quinolin-7-yloxypropanoic acid (CID 107314757) is 2-(methylamino)-3-quinolin-7-yloxypropanoic acid.
What is the SMILES notation for 2-(methylamino)-3-quinolin-7-yloxypropanoic acid?
The canonical SMILES for 2-(methylamino)-3-quinolin-7-yloxypropanoic acid is CNC(COc1ccc2cccnc2c1)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-quinolin-7-yloxypropanoic acid?
The InChIKey is CWWDFIYAFYQSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-14-12(13(16)17)8-18-10-5-4-9-3-2-6-15-11(9)7-10/h2-7,12,14H,8H2,1H3,(H,16,17).
What are the key properties of 2-(methylamino)-3-quinolin-7-yloxypropanoic acid?
2-(methylamino)-3-quinolin-7-yloxypropanoic acid has a molecular weight of 246.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-quinolin-7-yloxypropanoic acid is sourced from PubChem (CID 107314757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).