2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid

C14H16N2O2 — CID 175474960

IUPAC2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid
SMILESCCc1cc(N(C)CC(=O)O)nc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-3-10-8-13(16(2)9-14(17)18)15-12-7-5-4-6-11(10)12/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeyXKPRBZLJLXBEAU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.32
Rot. Bonds4

About 2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid

2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid (PubChem CID 175474960) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid
PubChem CID175474960
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid
SMILESCCc1cc(N(C)CC(=O)O)nc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-3-10-8-13(16(2)9-14(17)18)15-12-7-5-4-6-11(10)12/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeyXKPRBZLJLXBEAU-UHFFFAOYSA-N
XLogP2.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid
CID 43375386
2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid
CID 156809342
2-[2,1-benzothiazol-3-yl(methyl)amino]acetic acid
CID 66355052
4-(aminomethyl)-N-methyl-N-propylquinolin-2-amine
CID 62300858
2-[2-[carboxymethyl(methyl)amino]-6-hexylquinolin-4-yl]benzoic acid
CID 156809467
4-ethylquinoline-2-carboxamide
CID 174714299
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid
CID 168793988
[2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol
CID 112663552
[2-[2-methoxyethyl(methyl)amino]quinolin-4-yl]methanol
CID 61427550
2-[[6-[(E)-2-ethoxyethenyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid
CID 166667039
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid (CID 175474960) is 2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid is CCc1cc(N(C)CC(=O)O)nc2ccccc12.
What is the InChIKey of 2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid?
The InChIKey is XKPRBZLJLXBEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-10-8-13(16(2)9-14(17)18)15-12-7-5-4-6-11(10)12/h4-8H,3,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid?
2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid is sourced from PubChem (CID 175474960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).