2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid

C20H22N2O4 — CID 120525108

IUPAC2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid
SMILESO=C(NCC(Cc1ccccc1)C(=O)O)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C20H22N2O4/c23-19(15-9-10-21-18(12-15)26-17-7-4-8-17)22-13-16(20(24)25)11-14-5-2-1-3-6-14/h1-3,5-6,9-10,12,16-17H,4,7-8,11,13H2,(H,22,23)(H,24,25)
InChIKeyWSDFSPVKJYDLOM-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.69
Rot. Bonds8

About 2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid

2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid (PubChem CID 120525108) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid
PubChem CID120525108
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid
SMILESO=C(NCC(Cc1ccccc1)C(=O)O)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C20H22N2O4/c23-19(15-9-10-21-18(12-15)26-17-7-4-8-17)22-13-16(20(24)25)11-14-5-2-1-3-6-14/h1-3,5-6,9-10,12,16-17H,4,7-8,11,13H2,(H,22,23)(H,24,25)
InChIKeyWSDFSPVKJYDLOM-UHFFFAOYSA-N
XLogP2.69
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 120522196
N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide
CID 71906930
4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 120518914
2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528988
2-benzyl-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 119233654
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-hydroxy-2-phenylacetamide
CID 75393518
N-(3,3-diphenylpropyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815243
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86981506
2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide
CID 91815497

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid (CID 120525108) is 2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid is O=C(NCC(Cc1ccccc1)C(=O)O)c1ccnc(OC2CCC2)c1.
What is the InChIKey of 2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is WSDFSPVKJYDLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(15-9-10-21-18(12-15)26-17-7-4-8-17)22-13-16(20(24)25)11-14-5-2-1-3-6-14/h1-3,5-6,9-10,12,16-17H,4,7-8,11,13H2,(H,22,23)(H,24,25).
What are the key properties of 2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid?
2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 354.41 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120525108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).