2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid

C15H18N2O3 — CID 122051472

IUPAC2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1nc2ccccc2cc1CO
InChIInChI=1S/C15H18N2O3/c1-2-7-17(9-14(19)20)15-12(10-18)8-11-5-3-4-6-13(11)16-15/h3-6,8,18H,2,7,9-10H2,1H3,(H,19,20)
InChIKeyZILLYMNEJOVYFC-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.03
Rot. Bonds6

About 2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid

2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid (PubChem CID 122051472) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid
PubChem CID122051472
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1nc2ccccc2cc1CO
InChIInChI=1S/C15H18N2O3/c1-2-7-17(9-14(19)20)15-12(10-18)8-11-5-3-4-6-13(11)16-15/h3-6,8,18H,2,7,9-10H2,1H3,(H,19,20)
InChIKeyZILLYMNEJOVYFC-UHFFFAOYSA-N
XLogP2.03
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid?
The IUPAC name of 2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid (CID 122051472) is 2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid?
The canonical SMILES for 2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid is CCCN(CC(=O)O)c1nc2ccccc2cc1CO.
What is the InChIKey of 2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid?
The InChIKey is ZILLYMNEJOVYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-7-17(9-14(19)20)15-12(10-18)8-11-5-3-4-6-13(11)16-15/h3-6,8,18H,2,7,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid?
2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid is sourced from PubChem (CID 122051472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).