2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid

C17H26N2O2 — CID 65061623

IUPAC2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccc2c(c1)CCCN2C)C(C)(C)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-5-19(17(2,3)16(20)21)12-13-8-9-15-14(11-13)7-6-10-18(15)4/h8-9,11H,5-7,10,12H2,1-4H3,(H,20,21)
InChIKeyDLJHXAVJVOGSTH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds5

About 2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid

2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid (PubChem CID 65061623) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid
PubChem CID65061623
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccc2c(c1)CCCN2C)C(C)(C)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-5-19(17(2,3)16(20)21)12-13-8-9-15-14(11-13)7-6-10-18(15)4/h8-9,11H,5-7,10,12H2,1-4H3,(H,20,21)
InChIKeyDLJHXAVJVOGSTH-UHFFFAOYSA-N
XLogP2.75
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid
CID 65062421
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729
6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline
CID 86870483
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 65061478
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096
2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
CID 65067451
ethyl 2-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]acetate
CID 110485909
2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
CID 65057866

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid (CID 65061623) is 2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid is CCN(Cc1ccc2c(c1)CCCN2C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is DLJHXAVJVOGSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-19(17(2,3)16(20)21)12-13-8-9-15-14(11-13)7-6-10-18(15)4/h8-9,11H,5-7,10,12H2,1-4H3,(H,20,21).
What are the key properties of 2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 65061623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).