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

C19H23ClN4O4 — CID 8841611

IUPAC[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O4/c1-11-17(12(2)24(4)23-11)22-18(26)13(3)28-16(25)9-10-21-19(27)14-5-7-15(20)8-6-14/h5-8,13H,9-10H2,1-4H3,(H,21,27)(H,22,26)/t13-/m1/s1
InChIKeyGRWSTDKXONOQOO-CYBMUJFWSA-N
MW406.87 g/mol
LogP2.38
Rot. Bonds7

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

[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 8841611) has the molecular formula C19H23ClN4O4 and a molecular weight of 406.87 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
PubChem CID8841611
Molecular FormulaC19H23ClN4O4
Molecular Weight406.87 g/mol
Exact Mass406.14
IUPAC Name[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O4/c1-11-17(12(2)24(4)23-11)22-18(26)13(3)28-16(25)9-10-21-19(27)14-5-7-15(20)8-6-14/h5-8,13H,9-10H2,1-4H3,(H,21,27)(H,22,26)/t13-/m1/s1
InChIKeyGRWSTDKXONOQOO-CYBMUJFWSA-N
XLogP2.38
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8749560
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8650159
[(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827234
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 8522923
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 8742945
[(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
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 8950357
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827276
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3,4-dichlorobenzoate
CID 8935759
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 8744157
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3,4-difluorobenzoate
CID 8653449

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate (CID 8841611) is [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate is Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is GRWSTDKXONOQOO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23ClN4O4/c1-11-17(12(2)24(4)23-11)22-18(26)13(3)28-16(25)9-10-21-19(27)14-5-7-15(20)8-6-14/h5-8,13H,9-10H2,1-4H3,(H,21,27)(H,22,26)/t13-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate?
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 406.87 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 8841611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).