[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate

C19H25N3O4 — CID 8841250

IUPAC[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C19H25N3O4/c1-6-16(26-15-10-8-7-9-11-15)19(24)25-14(4)18(23)20-17-12(2)21-22(5)13(17)3/h7-11,14,16H,6H2,1-5H3,(H,20,23)/t14-,16+/m0/s1
InChIKeyQNBRWBRMNCASFT-GOEBONIOSA-N
MW359.43 g/mol
LogP2.76
Rot. Bonds7

About [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate

[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate (PubChem CID 8841250) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate
PubChem CID8841250
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C19H25N3O4/c1-6-16(26-15-10-8-7-9-11-15)19(24)25-14(4)18(23)20-17-12(2)21-22(5)13(17)3/h7-11,14,16H,6H2,1-5H3,(H,20,23)/t14-,16+/m0/s1
InChIKeyQNBRWBRMNCASFT-GOEBONIOSA-N
XLogP2.76
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate with MolForge

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Related Compounds

[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2S)-2-phenoxypropanoate
CID 8653227
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (2S)-2-phenoxybutanoate
CID 7704995
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848402
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8742219
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-phenylpropanoate
CID 55404984
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-phenoxybenzoate
CID 8648873
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate
CID 7229925
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(2-methylphenyl)acetate
CID 8935155
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55405256
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-phenoxybenzoate
CID 8648609
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7229778
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-hydroxybenzoate
CID 55405158

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate?
The IUPAC name of [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate (CID 8841250) is [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate.
What is the SMILES notation for [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate?
The canonical SMILES for [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate is CC[C@@H](Oc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate?
The InChIKey is QNBRWBRMNCASFT-GOEBONIOSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-6-16(26-15-10-8-7-9-11-15)19(24)25-14(4)18(23)20-17-12(2)21-22(5)13(17)3/h7-11,14,16H,6H2,1-5H3,(H,20,23)/t14-,16+/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate?
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate has a molecular weight of 359.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate is sourced from PubChem (CID 8841250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).