2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine

C20H18N2O4 — CID 139087682

IUPAC2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
SMILESO=C(O)Cc1ccc(CC(=O)O)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C10H10O4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-8H;1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKeyDHLXEBDICLMKLI-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.08
Rot. Bonds5

About 2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine

2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine (PubChem CID 139087682) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
PubChem CID139087682
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
SMILESO=C(O)Cc1ccc(CC(=O)O)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C10H10O4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-8H;1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKeyDHLXEBDICLMKLI-UHFFFAOYSA-N
XLogP3.08
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine 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

2-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]acetic acid
CID 103236241
2-(4-pyridin-4-yloxyphenyl)acetic acid
CID 61395502
2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
CID 71756945
2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid
CID 46315783
N-methyl-2-(4-pyridin-4-ylphenyl)acetamide
CID 39801868
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
CID 1394294
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
2-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetic acid
CID 103239967
2-(2-fluoro-4-pyridin-4-ylphenyl)acetic acid
CID 46315787
2-(2-pyridin-4-yl-1,3-benzothiazol-6-yl)acetic acid
CID 39105403
2-[4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetic acid
CID 6539727
2-[4-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]phenyl]acetic acid
CID 94935955

Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine?
The IUPAC name of 2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine (CID 139087682) is 2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine.
What is the SMILES notation for 2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine?
The canonical SMILES for 2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine is O=C(O)Cc1ccc(CC(=O)O)cc1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine?
The InChIKey is DHLXEBDICLMKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C10H10O4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-8H;1-4H,5-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine?
2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine has a molecular weight of 350.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine is sourced from PubChem (CID 139087682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).