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

C14H16N2O2 — CID 60987011

IUPAC3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1cccc2cccnc12
InChIInChI=1S/C14H16N2O2/c1-16(9-7-13(17)18)10-12-5-2-4-11-6-3-8-15-14(11)12/h2-6,8H,7,9-10H2,1H3,(H,17,18)
InChIKeyVRMUFFRNAMDXIV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.14
Rot. Bonds5

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

3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid (PubChem CID 60987011) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
PubChem CID60987011
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1cccc2cccnc12
InChIInChI=1S/C14H16N2O2/c1-16(9-7-13(17)18)10-12-5-2-4-11-6-3-8-15-14(11)12/h2-6,8H,7,9-10H2,1H3,(H,17,18)
InChIKeyVRMUFFRNAMDXIV-UHFFFAOYSA-N
XLogP2.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696
3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 54899417
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
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
1-methoxy-3-[methyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 62016123
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 112809377
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid (CID 60987011) is 3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid is CN(CCC(=O)O)Cc1cccc2cccnc12.
What is the InChIKey of 3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid?
The InChIKey is VRMUFFRNAMDXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16(9-7-13(17)18)10-12-5-2-4-11-6-3-8-15-14(11)12/h2-6,8H,7,9-10H2,1H3,(H,17,18).
What are the key properties of 3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid?
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 60987011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).