2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

C19H22N2O4 — CID 120525138

IUPAC2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1cccnc1C(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-13(2)25-16-9-6-10-20-17(16)18(22)21-12-15(19(23)24)11-14-7-4-3-5-8-14/h3-10,13,15H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyFKBDNHILCDGGDQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.54
Rot. Bonds8

About 2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (PubChem CID 120525138) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
PubChem CID120525138
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1cccnc1C(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-13(2)25-16-9-6-10-20-17(16)18(22)21-12-15(19(23)24)11-14-7-4-3-5-8-14/h3-10,13,15H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyFKBDNHILCDGGDQ-UHFFFAOYSA-N
XLogP2.54
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (CID 120525138) is 2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is CC(C)Oc1cccnc1C(=O)NCC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is FKBDNHILCDGGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)25-16-9-6-10-20-17(16)18(22)21-12-15(19(23)24)11-14-7-4-3-5-8-14/h3-10,13,15H,11-12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 342.40 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120525138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).