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

C16H17ClN2O3 — CID 46931250

IUPAC(3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid
SMILESNC[C@H](CC(=O)O)c1ccc(Cl)c(OCc2ccncc2)c1
InChIInChI=1S/C16H17ClN2O3/c17-14-2-1-12(13(9-18)8-16(20)21)7-15(14)22-10-11-3-5-19-6-4-11/h1-7,13H,8-10,18H2,(H,20,21)/t13-/m0/s1
InChIKeyFAYLFPMAQJMXTG-ZDUSSCGKSA-N
MW320.78 g/mol
LogP2.83
Rot. Bonds7

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

(3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid (PubChem CID 46931250) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is (3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid.

Molecular Properties

Compound Name(3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid
PubChem CID46931250
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name(3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid
SMILESNC[C@H](CC(=O)O)c1ccc(Cl)c(OCc2ccncc2)c1
InChIInChI=1S/C16H17ClN2O3/c17-14-2-1-12(13(9-18)8-16(20)21)7-15(14)22-10-11-3-5-19-6-4-11/h1-7,13H,8-10,18H2,(H,20,21)/t13-/m0/s1
InChIKeyFAYLFPMAQJMXTG-ZDUSSCGKSA-N
XLogP2.83
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-4-amino-3-[4-chloro-3-(pyridin-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

Related Compounds

(3R)-4-amino-3-[4-chloro-3-(pyridin-3-ylmethoxy)phenyl]butanoic acid
CID 49792996
(3R)-4-amino-3-[4-chloro-3-(2-pyridin-4-ylethoxy)phenyl]butanoic acid
CID 49792997
(3R)-4-amino-3-[4-chloro-3-[(1R)-1-pyridin-4-ylethoxy]phenyl]butanoic acid
CID 49792998
(3R)-4-amino-3-[4-chloro-3-[(3-chloro-4-pyridinyl)methoxy]phenyl]butanoic acid
CID 49793003
2-{4-[(6-Chloro-3-pyridinyl)methoxy]phenyl}acetic acid
CID 2768471
(3R)-4-amino-3-[4-chloro-3-[(1-oxidopyridin-1-ium-4-yl)methoxy]phenyl]butanoic acid
CID 57392797
(3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid
CID 57403242
(3R)-4-amino-3-[4-chloro-3-[(1S)-1-pyridin-4-ylethoxy]phenyl]butanoic acid
CID 57394613
(3R)-4-amino-3-[4-chloro-3-(pyridin-2-ylmethoxy)phenyl]butanoic acid
CID 57391109
(3R)-4-amino-3-[4-chloro-3-(quinolin-4-ylmethoxy)phenyl]butanoic acid
CID 57392796
3-[2-Chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-3-ylpropan-1-amine;oxalic acid
CID 22489916
1-(4-Chloro-2-fluoro-3-phenoxyphenyl)-2-pyridin-4-ylethanamine
CID 89544680

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid?
The IUPAC name of (3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid (CID 46931250) is (3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid.
What is the SMILES notation for (3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid?
The canonical SMILES for (3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid is NC[C@H](CC(=O)O)c1ccc(Cl)c(OCc2ccncc2)c1.
What is the InChIKey of (3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid?
The InChIKey is FAYLFPMAQJMXTG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-14-2-1-12(13(9-18)8-16(20)21)7-15(14)22-10-11-3-5-19-6-4-11/h1-7,13H,8-10,18H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid?
(3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid has a molecular weight of 320.78 g/mol, XLogP of 2.83, 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-(pyridin-4-ylmethoxy)phenyl]butanoic acid is sourced from PubChem (CID 46931250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).