3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid

C20H22N2O4 — CID 120522196

IUPAC3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(NC(=O)c1ccnc(OC2CCC2)c1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-13(20(24)25)18(14-6-3-2-4-7-14)22-19(23)15-10-11-21-17(12-15)26-16-8-5-9-16/h2-4,6-7,10-13,16,18H,5,8-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyRLSPIXVILREPOQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.20
Rot. Bonds7

About 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid

3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 120522196) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
PubChem CID120522196
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(NC(=O)c1ccnc(OC2CCC2)c1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-13(20(24)25)18(14-6-3-2-4-7-14)22-19(23)15-10-11-21-17(12-15)26-16-8-5-9-16/h2-4,6-7,10-13,16,18H,5,8-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyRLSPIXVILREPOQ-UHFFFAOYSA-N
XLogP3.20
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid (CID 120522196) is 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid is CC(C(=O)O)C(NC(=O)c1ccnc(OC2CCC2)c1)c1ccccc1.
What is the InChIKey of 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is RLSPIXVILREPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(20(24)25)18(14-6-3-2-4-7-14)22-19(23)15-10-11-21-17(12-15)26-16-8-5-9-16/h2-4,6-7,10-13,16,18H,5,8-9H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 120522196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).