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

C14H13ClN2O2 — CID 159846042

IUPAC(2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid
SMILESC[C@H](Nc1cnccc1-c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H13ClN2O2/c1-9(14(18)19)17-13-8-16-7-6-12(13)10-2-4-11(15)5-3-10/h2-9,17H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyXYKKSUHMBUGADM-VIFPVBQESA-N
MW276.72 g/mol
LogP3.29
Rot. Bonds4

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

(2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid (PubChem CID 159846042) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is (2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid
PubChem CID159846042
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name(2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid
SMILESC[C@H](Nc1cnccc1-c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H13ClN2O2/c1-9(14(18)19)17-13-8-16-7-6-12(13)10-2-4-11(15)5-3-10/h2-9,17H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyXYKKSUHMBUGADM-VIFPVBQESA-N
XLogP3.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]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-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid (CID 159846042) is (2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid is C[C@H](Nc1cnccc1-c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid?
The InChIKey is XYKKSUHMBUGADM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9(14(18)19)17-13-8-16-7-6-12(13)10-2-4-11(15)5-3-10/h2-9,17H,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid?
(2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid has a molecular weight of 276.72 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 159846042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).