4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid

C14H15ClN2O2 — CID 112618653

IUPAC4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
SMILESCC(N)C(CC(=O)O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H15ClN2O2/c1-8(16)11(7-13(18)19)9-4-5-12(15)10-3-2-6-17-14(9)10/h2-6,8,11H,7,16H2,1H3,(H,18,19)
InChIKeyIIOHAXFMNGNEDI-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.79
Rot. Bonds4

About 4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid

4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid (PubChem CID 112618653) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
PubChem CID112618653
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
SMILESCC(N)C(CC(=O)O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H15ClN2O2/c1-8(16)11(7-13(18)19)9-4-5-12(15)10-3-2-6-17-14(9)10/h2-6,8,11H,7,16H2,1H3,(H,18,19)
InChIKeyIIOHAXFMNGNEDI-UHFFFAOYSA-N
XLogP2.79
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol
CID 112618658
4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid
CID 114489141
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222
methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate
CID 115959645
2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide
CID 115959599
2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid
CID 115959665
methyl 3-(5-chloroquinolin-8-yl)-3-(propylamino)propanoate
CID 115960570

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid?
The IUPAC name of 4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid (CID 112618653) is 4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid.
What is the SMILES notation for 4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid?
The canonical SMILES for 4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid is CC(N)C(CC(=O)O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid?
The InChIKey is IIOHAXFMNGNEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-8(16)11(7-13(18)19)9-4-5-12(15)10-3-2-6-17-14(9)10/h2-6,8,11H,7,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid?
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid has a molecular weight of 278.74 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid is sourced from PubChem (CID 112618653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).