3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid

C21H24N2O4 — CID 167928446

IUPAC3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid
SMILESCN1CCCc2cc(CC(=O)NC(Cc3ccccc3O)C(=O)O)ccc21
InChIInChI=1S/C21H24N2O4/c1-23-10-4-6-15-11-14(8-9-18(15)23)12-20(25)22-17(21(26)27)13-16-5-2-3-7-19(16)24/h2-3,5,7-9,11,17,24H,4,6,10,12-13H2,1H3,(H,22,25)(H,26,27)
InChIKeyIKULRTFLLRTIBW-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.13
Rot. Bonds6

About 3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid

3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid (PubChem CID 167928446) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid
PubChem CID167928446
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid
SMILESCN1CCCc2cc(CC(=O)NC(Cc3ccccc3O)C(=O)O)ccc21
InChIInChI=1S/C21H24N2O4/c1-23-10-4-6-15-11-14(8-9-18(15)23)12-20(25)22-17(21(26)27)13-16-5-2-3-7-19(16)24/h2-3,5,7-9,11,17,24H,4,6,10,12-13H2,1H3,(H,22,25)(H,26,27)
InChIKeyIKULRTFLLRTIBW-UHFFFAOYSA-N
XLogP2.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid
CID 62095154
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8593487
2-[[2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)acetyl]amino]-3-phenylpropanoic acid
CID 118985810
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820
1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
CID 82506730
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid
CID 170881630
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
CID 62097569

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid (CID 167928446) is 3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid is CN1CCCc2cc(CC(=O)NC(Cc3ccccc3O)C(=O)O)ccc21.
What is the InChIKey of 3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid?
The InChIKey is IKULRTFLLRTIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-23-10-4-6-15-11-14(8-9-18(15)23)12-20(25)22-17(21(26)27)13-16-5-2-3-7-19(16)24/h2-3,5,7-9,11,17,24H,4,6,10,12-13H2,1H3,(H,22,25)(H,26,27).
What are the key properties of 3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid?
3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid has a molecular weight of 368.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 167928446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).