(2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid

C20H17ClN2O3 — CID 162657481

IUPAC(2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O
InChIInChI=1S/C20H17ClN2O3/c1-12(20(24)25)26-17-8-4-13(5-9-17)15-10-18(19(22)23-11-15)14-2-6-16(21)7-3-14/h2-12H,1H3,(H2,22,23)(H,24,25)/t12-/m0/s1
InChIKeyZGPQAVBMVJZKPG-LBPRGKRZSA-N
MW368.82 g/mol
LogP4.50
Rot. Bonds5

About (2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid

(2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid (PubChem CID 162657481) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is (2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid
PubChem CID162657481
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name(2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O
InChIInChI=1S/C20H17ClN2O3/c1-12(20(24)25)26-17-8-4-13(5-9-17)15-10-18(19(22)23-11-15)14-2-6-16(21)7-3-14/h2-12H,1H3,(H2,22,23)(H,24,25)/t12-/m0/s1
InChIKeyZGPQAVBMVJZKPG-LBPRGKRZSA-N
XLogP4.50
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic 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 (2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid?
The IUPAC name of (2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid (CID 162657481) is (2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid is C[C@H](Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid?
The InChIKey is ZGPQAVBMVJZKPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-12(20(24)25)26-17-8-4-13(5-9-17)15-10-18(19(22)23-11-15)14-2-6-16(21)7-3-14/h2-12H,1H3,(H2,22,23)(H,24,25)/t12-/m0/s1.
What are the key properties of (2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid?
(2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid has a molecular weight of 368.82 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenoxy]propanoic acid is sourced from PubChem (CID 162657481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).