2-(quinolin-8-ylmethylamino)acetic acid

C12H12N2O2 — CID 43135065

IUPAC2-(quinolin-8-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1cccc2cccnc12
InChIInChI=1S/C12H12N2O2/c15-11(16)8-13-7-10-4-1-3-9-5-2-6-14-12(9)10/h1-6,13H,7-8H2,(H,15,16)
InChIKeyPEEVBGAQTBRHQL-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.41
Rot. Bonds4

About 2-(quinolin-8-ylmethylamino)acetic acid

2-(quinolin-8-ylmethylamino)acetic acid (PubChem CID 43135065) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(quinolin-8-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(quinolin-8-ylmethylamino)acetic acid
PubChem CID43135065
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(quinolin-8-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1cccc2cccnc12
InChIInChI=1S/C12H12N2O2/c15-11(16)8-13-7-10-4-1-3-9-5-2-6-14-12(9)10/h1-6,13H,7-8H2,(H,15,16)
InChIKeyPEEVBGAQTBRHQL-UHFFFAOYSA-N
XLogP1.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427388
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261
1-phenyl-2-(quinolin-8-ylmethylamino)ethanol
CID 43394632
N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427738
N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-8-ylmethylamino)acetic acid?
The IUPAC name of 2-(quinolin-8-ylmethylamino)acetic acid (CID 43135065) is 2-(quinolin-8-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(quinolin-8-ylmethylamino)acetic acid?
The canonical SMILES for 2-(quinolin-8-ylmethylamino)acetic acid is O=C(O)CNCc1cccc2cccnc12.
What is the InChIKey of 2-(quinolin-8-ylmethylamino)acetic acid?
The InChIKey is PEEVBGAQTBRHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11(16)8-13-7-10-4-1-3-9-5-2-6-14-12(9)10/h1-6,13H,7-8H2,(H,15,16).
What are the key properties of 2-(quinolin-8-ylmethylamino)acetic acid?
2-(quinolin-8-ylmethylamino)acetic acid has a molecular weight of 216.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-8-ylmethylamino)acetic acid is sourced from PubChem (CID 43135065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).