2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid

C19H29N3O3 — CID 124689456

IUPAC2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid
SMILESC[C@@H]1CCc2ccccc2N1CCC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C19H29N3O3/c1-15-8-9-16-6-4-5-7-17(16)22(15)11-10-18(23)21(14-19(24)25)13-12-20(2)3/h4-7,15H,8-14H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyDRUUFSDVLWZUHU-OAHLLOKOSA-N
MW347.46 g/mol
LogP1.69
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid (PubChem CID 124689456) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid
PubChem CID124689456
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid
SMILESC[C@@H]1CCc2ccccc2N1CCC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C19H29N3O3/c1-15-8-9-16-6-4-5-7-17(16)22(15)11-10-18(23)21(14-19(24)25)13-12-20(2)3/h4-7,15H,8-14H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyDRUUFSDVLWZUHU-OAHLLOKOSA-N
XLogP1.69
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid with MolForge

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Related Compounds

N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide
CID 95907140
1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693452
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide
CID 94824067
1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693456
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 111539101
2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 91831210
N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide
CID 95781097
2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 63028897
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 95906955
N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
CID 119422356
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid (CID 124689456) is 2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid is C[C@@H]1CCc2ccccc2N1CCC(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid?
The InChIKey is DRUUFSDVLWZUHU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15-8-9-16-6-4-5-7-17(16)22(15)11-10-18(23)21(14-19(24)25)13-12-20(2)3/h4-7,15H,8-14H2,1-3H3,(H,24,25)/t15-/m1/s1.
What are the key properties of 2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid has a molecular weight of 347.46 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid is sourced from PubChem (CID 124689456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).