3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid

C18H20N2O5 — CID 120532018

IUPAC3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2ncccc2C)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-11-5-4-8-19-17(11)18(23)20-14(10-16(21)22)13-7-6-12(24-2)9-15(13)25-3/h4-9,14H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyARXWNZADEOHTJI-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.35
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid

3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid (PubChem CID 120532018) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
PubChem CID120532018
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2ncccc2C)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-11-5-4-8-19-17(11)18(23)20-14(10-16(21)22)13-7-6-12(24-2)9-15(13)25-3/h4-9,14H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyARXWNZADEOHTJI-UHFFFAOYSA-N
XLogP2.35
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid
CID 75446028
3-(2,4-dimethoxyphenyl)-3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 120532023
3-(2,4-dimethoxyphenyl)-3-(2-ethylbutanoylamino)propanoic acid
CID 120606640
N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide
CID 51128012
3-[[2-(2-chlorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-(2,4-dimethoxyphenyl)propanoic acid
CID 90093049
(3S)-3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(2,4-dimethoxyphenyl)propanoic acid
CID 97337517
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 134053639
3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
CID 19348600
(2,4-dimethoxyphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 62801966
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
3-[[2-[4-(2-aminopyrimidin-5-yl)triazol-1-yl]benzoyl]amino]-3-(2,4-dimethoxyphenyl)propanoic acid
CID 166325560

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid (CID 120532018) is 3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid is COc1ccc(C(CC(=O)O)NC(=O)c2ncccc2C)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is ARXWNZADEOHTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-5-4-8-19-17(11)18(23)20-14(10-16(21)22)13-7-6-12(24-2)9-15(13)25-3/h4-9,14H,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid?
3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 344.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120532018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).