[(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate

C19H22N2O3 — CID 9414407

IUPAC[(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate
SMILESCC[C@H](CNC(=O)[C@@H](C)OC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-3-15(16-8-5-4-6-9-16)13-21-18(22)14(2)24-19(23)17-10-7-11-20-12-17/h4-12,14-15H,3,13H2,1-2H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyPHHHYDNTJSIEPO-HUUCEWRRSA-N
MW326.40 g/mol
LogP2.94
Rot. Bonds7

About [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate

[(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate (PubChem CID 9414407) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate
PubChem CID9414407
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate
SMILESCC[C@H](CNC(=O)[C@@H](C)OC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-3-15(16-8-5-4-6-9-16)13-21-18(22)14(2)24-19(23)17-10-7-11-20-12-17/h4-12,14-15H,3,13H2,1-2H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyPHHHYDNTJSIEPO-HUUCEWRRSA-N
XLogP2.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8725560
[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 9413930
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-benzoylbenzoate
CID 7203753
[1-(3,4-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23773848
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2355110
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 9413786
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2386320
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23915988
[(2R)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 8731026
[(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672941
[(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 2-fluoro-5-sulfamoylbenzoate
CID 8506189

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate (CID 9414407) is [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate is CC[C@H](CNC(=O)[C@@H](C)OC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate?
The InChIKey is PHHHYDNTJSIEPO-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-15(16-8-5-4-6-9-16)13-21-18(22)14(2)24-19(23)17-10-7-11-20-12-17/h4-12,14-15H,3,13H2,1-2H3,(H,21,22)/t14-,15-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate?
[(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate is sourced from PubChem (CID 9414407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).