3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid

C19H22N2O4 — CID 120516393

IUPAC3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C19H22N2O4/c1-14(2)13-21(11-9-18(22)23)19(24)17-12-16(8-10-20-17)25-15-6-4-3-5-7-15/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,22,23)
InChIKeyZJJWXQSVFGTTBV-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.45
Rot. Bonds8

About 3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid

3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid (PubChem CID 120516393) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid
PubChem CID120516393
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C19H22N2O4/c1-14(2)13-21(11-9-18(22)23)19(24)17-12-16(8-10-20-17)25-15-6-4-3-5-7-15/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,22,23)
InChIKeyZJJWXQSVFGTTBV-UHFFFAOYSA-N
XLogP3.45
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119583757
N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119659833
N,N-diethyl-4-(3-hydroxyphenoxy)pyridine-2-carboxamide
CID 60871058
3-[2-methylpropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119190716
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190569
3-[2-methylpropyl-[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120516436
3-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190688
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea
CID 69028216
4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 119825107
3-[[2-(3-bromophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119189919
3-[3-(3-methoxyphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119189983

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid (CID 120516393) is 3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)c1cc(Oc2ccccc2)ccn1.
What is the InChIKey of 3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is ZJJWXQSVFGTTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(2)13-21(11-9-18(22)23)19(24)17-12-16(8-10-20-17)25-15-6-4-3-5-7-15/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,22,23).
What are the key properties of 3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid?
3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 342.40 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120516393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).