3-[(quinolin-2-ylamino)methyl]pentanoic acid

C15H18N2O2 — CID 81067138

IUPAC3-[(quinolin-2-ylamino)methyl]pentanoic acid
SMILESCCC(CNc1ccc2ccccc2n1)CC(=O)O
InChIInChI=1S/C15H18N2O2/c1-2-11(9-15(18)19)10-16-14-8-7-12-5-3-4-6-13(12)17-14/h3-8,11H,2,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyVVXLORYIZNIIEL-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.15
Rot. Bonds6

About 3-[(quinolin-2-ylamino)methyl]pentanoic acid

3-[(quinolin-2-ylamino)methyl]pentanoic acid (PubChem CID 81067138) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(quinolin-2-ylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(quinolin-2-ylamino)methyl]pentanoic acid
PubChem CID81067138
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[(quinolin-2-ylamino)methyl]pentanoic acid
SMILESCCC(CNc1ccc2ccccc2n1)CC(=O)O
InChIInChI=1S/C15H18N2O2/c1-2-11(9-15(18)19)10-16-14-8-7-12-5-3-4-6-13(12)17-14/h3-8,11H,2,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyVVXLORYIZNIIEL-UHFFFAOYSA-N
XLogP3.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(quinolin-2-ylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(quinolin-2-ylamino)methyl]pentanoic acid (CID 81067138) is 3-[(quinolin-2-ylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(quinolin-2-ylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(quinolin-2-ylamino)methyl]pentanoic acid is CCC(CNc1ccc2ccccc2n1)CC(=O)O.
What is the InChIKey of 3-[(quinolin-2-ylamino)methyl]pentanoic acid?
The InChIKey is VVXLORYIZNIIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-11(9-15(18)19)10-16-14-8-7-12-5-3-4-6-13(12)17-14/h3-8,11H,2,9-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(quinolin-2-ylamino)methyl]pentanoic acid?
3-[(quinolin-2-ylamino)methyl]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(quinolin-2-ylamino)methyl]pentanoic acid is sourced from PubChem (CID 81067138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).