(3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid

C17H19ClN2O3 — CID 57403242

IUPAC(3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid
SMILESCc1cnccc1COc1cc([C@H](CN)CC(=O)O)ccc1Cl
InChIInChI=1S/C17H19ClN2O3/c1-11-9-20-5-4-13(11)10-23-16-6-12(2-3-15(16)18)14(8-19)7-17(21)22/h2-6,9,14H,7-8,10,19H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyWBMPJEWQORCZPP-AWEZNQCLSA-N
MW334.80 g/mol
LogP3.14
Rot. Bonds7

About (3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid

(3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid (PubChem CID 57403242) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is (3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name(3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid
PubChem CID57403242
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name(3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid
SMILESCc1cnccc1COc1cc([C@H](CN)CC(=O)O)ccc1Cl
InChIInChI=1S/C17H19ClN2O3/c1-11-9-20-5-4-13(11)10-23-16-6-12(2-3-15(16)18)14(8-19)7-17(21)22/h2-6,9,14H,7-8,10,19H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyWBMPJEWQORCZPP-AWEZNQCLSA-N
XLogP3.14
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid with MolForge

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Related Compounds

(3R)-4-amino-3-[4-chloro-3-(pyridin-4-ylmethoxy)phenyl]butanoic acid
CID 46931250
(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-[(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
US10059667, Example 86
CID 118296116
US10059720, Example 94
CID 126762840
US10059667, Example 89
CID 136213652

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid?
The IUPAC name of (3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid (CID 57403242) is (3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid.
What is the SMILES notation for (3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid?
The canonical SMILES for (3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid is Cc1cnccc1COc1cc([C@H](CN)CC(=O)O)ccc1Cl.
What is the InChIKey of (3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid?
The InChIKey is WBMPJEWQORCZPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11-9-20-5-4-13(11)10-23-16-6-12(2-3-15(16)18)14(8-19)7-17(21)22/h2-6,9,14H,7-8,10,19H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid?
(3R)-4-amino-3-[4-chloro-3-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid has a molecular weight of 334.80 g/mol, XLogP of 3.14, 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-[(3-methyl-4-pyridinyl)methoxy]phenyl]butanoic acid is sourced from PubChem (CID 57403242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).