2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid

C22H20N2O4 — CID 11509081

IUPAC2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid
SMILESNC(Cc1cccc(-c2cccc(Cc3ncccc3C(=O)O)c2)c1)C(=O)O
InChIInChI=1S/C22H20N2O4/c23-19(22(27)28)12-14-4-1-6-16(10-14)17-7-2-5-15(11-17)13-20-18(21(25)26)8-3-9-24-20/h1-11,19H,12-13,23H2,(H,25,26)(H,27,28)
InChIKeyIYLYAXYMHWQZPW-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.99
Rot. Bonds7

About 2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid

2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 11509081) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid
PubChem CID11509081
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid
SMILESNC(Cc1cccc(-c2cccc(Cc3ncccc3C(=O)O)c2)c1)C(=O)O
InChIInChI=1S/C22H20N2O4/c23-19(22(27)28)12-14-4-1-6-16(10-14)17-7-2-5-15(11-17)13-20-18(21(25)26)8-3-9-24-20/h1-11,19H,12-13,23H2,(H,25,26)(H,27,28)
InChIKeyIYLYAXYMHWQZPW-UHFFFAOYSA-N
XLogP2.99
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic 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

(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
CID 171702919
3-[3-(2-amino-2-carboxyethyl)phenyl]benzoic acid
CID 45101472
(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
CID 172529545
2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
CID 170879584
2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride
CID 135330870
2-benzylpyridine-3-carboxylic acid;2-hydroxybutanedioic acid
CID 66808540
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 170879844
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid (CID 11509081) is 2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid is NC(Cc1cccc(-c2cccc(Cc3ncccc3C(=O)O)c2)c1)C(=O)O.
What is the InChIKey of 2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is IYLYAXYMHWQZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c23-19(22(27)28)12-14-4-1-6-16(10-14)17-7-2-5-15(11-17)13-20-18(21(25)26)8-3-9-24-20/h1-11,19H,12-13,23H2,(H,25,26)(H,27,28).
What are the key properties of 2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid?
2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 11509081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).