(3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid

C20H19ClN2O3 — CID 57392796

IUPAC(3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid
SMILESNC[C@H](CC(=O)O)c1ccc(Cl)c(OCc2ccnc3ccccc23)c1
InChIInChI=1S/C20H19ClN2O3/c21-17-6-5-13(15(11-22)10-20(24)25)9-19(17)26-12-14-7-8-23-18-4-2-1-3-16(14)18/h1-9,15H,10-12,22H2,(H,24,25)/t15-/m0/s1
InChIKeyFKGCYBLHJWTOJU-HNNXBMFYSA-N
MW370.84 g/mol
LogP3.98
Rot. Bonds7

About (3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid

(3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid (PubChem CID 57392796) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is (3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid.

Molecular Properties

Compound Name(3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid
PubChem CID57392796
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name(3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid
SMILESNC[C@H](CC(=O)O)c1ccc(Cl)c(OCc2ccnc3ccccc23)c1
InChIInChI=1S/C20H19ClN2O3/c21-17-6-5-13(15(11-22)10-20(24)25)9-19(17)26-12-14-7-8-23-18-4-2-1-3-16(14)18/h1-9,15H,10-12,22H2,(H,24,25)/t15-/m0/s1
InChIKeyFKGCYBLHJWTOJU-HNNXBMFYSA-N
XLogP3.98
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid?
The IUPAC name of (3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid (CID 57392796) is (3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid.
What is the SMILES notation for (3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid?
The canonical SMILES for (3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid is NC[C@H](CC(=O)O)c1ccc(Cl)c(OCc2ccnc3ccccc23)c1.
What is the InChIKey of (3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid?
The InChIKey is FKGCYBLHJWTOJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-17-6-5-13(15(11-22)10-20(24)25)9-19(17)26-12-14-7-8-23-18-4-2-1-3-16(14)18/h1-9,15H,10-12,22H2,(H,24,25)/t15-/m0/s1.
What are the key properties of (3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid?
(3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid has a molecular weight of 370.84 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid is sourced from PubChem (CID 57392796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).