3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid

C15H18N2O2 — CID 54899417

IUPAC3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1cccc2cccnc12
InChIInChI=1S/C15H18N2O2/c1-2-17(10-8-14(18)19)11-13-6-3-5-12-7-4-9-16-15(12)13/h3-7,9H,2,8,10-11H2,1H3,(H,18,19)
InChIKeyXKYPGAQPLBGFOH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.53
Rot. Bonds6

About 3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid

3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid (PubChem CID 54899417) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid
PubChem CID54899417
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1cccc2cccnc12
InChIInChI=1S/C15H18N2O2/c1-2-17(10-8-14(18)19)11-13-6-3-5-12-7-4-9-16-15(12)13/h3-7,9H,2,8,10-11H2,1H3,(H,18,19)
InChIKeyXKYPGAQPLBGFOH-UHFFFAOYSA-N
XLogP2.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid
CID 55209592
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 54984195
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
3-(quinolin-8-ylmethylsulfinyl)propanoic acid
CID 60983236
18-quinolin-8-yloctadec-9-enoic acid
CID 57187183
6-quinolin-8-ylhexan-3-one
CID 132571149

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid (CID 54899417) is 3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid is CCN(CCC(=O)O)Cc1cccc2cccnc12.
What is the InChIKey of 3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid?
The InChIKey is XKYPGAQPLBGFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-17(10-8-14(18)19)11-13-6-3-5-12-7-4-9-16-15(12)13/h3-7,9H,2,8,10-11H2,1H3,(H,18,19).
What are the key properties of 3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid?
3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 54899417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).