3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid

C19H21FN2O3 — CID 120520504

IUPAC3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
SMILESCC(C)(C)c1ccc(C(CC(=O)O)NC(=O)c2cncc(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(2,3)14-6-4-12(5-7-14)16(9-17(23)24)22-18(25)13-8-15(20)11-21-10-13/h4-8,10-11,16H,9H2,1-3H3,(H,22,25)(H,23,24)
InChIKeySYRCZXDYSAFVSH-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.46
Rot. Bonds5

About 3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid

3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid (PubChem CID 120520504) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
PubChem CID120520504
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
SMILESCC(C)(C)c1ccc(C(CC(=O)O)NC(=O)c2cncc(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(2,3)14-6-4-12(5-7-14)16(9-17(23)24)22-18(25)13-8-15(20)11-21-10-13/h4-8,10-11,16H,9H2,1-3H3,(H,22,25)(H,23,24)
InChIKeySYRCZXDYSAFVSH-UHFFFAOYSA-N
XLogP3.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)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

Related Compounds

methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate
CID 146127175
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
3-(4-tert-butylphenyl)-3-(pyrazine-2-carbonylamino)propanoic acid
CID 119210009
3-(4-tert-butylphenyl)-3-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120520484
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
3-(4-tert-butylphenyl)-3-[(3-methoxybenzoyl)amino]propanoic acid
CID 3537441
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-(4-tert-butylphenyl)propanoic acid
CID 119210017
3-(4-tert-butylphenyl)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 119209886
(3S)-3-(4-tert-butylphenyl)-3-[(3,4-dichlorobenzoyl)amino]propanoate
CID 7310435
3-(4-tert-butylphenyl)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119209956

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid (CID 120520504) is 3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid is CC(C)(C)c1ccc(C(CC(=O)O)NC(=O)c2cncc(F)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is SYRCZXDYSAFVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-19(2,3)14-6-4-12(5-7-14)16(9-17(23)24)22-18(25)13-8-15(20)11-21-10-13/h4-8,10-11,16H,9H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid?
3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 344.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120520504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).