tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate

C15H25N3O3 — CID 80999522

IUPACtert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
SMILESCc1cc(C)n(CCC(=O)N[C@H](C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H25N3O3/c1-10-9-11(2)18(17-10)8-7-13(19)16-12(3)14(20)21-15(4,5)6/h9,12H,7-8H2,1-6H3,(H,16,19)/t12-/m1/s1
InChIKeyZGJAQTAWEKBKKP-GFCCVEGCSA-N
MW295.38 g/mol
LogP1.74
Rot. Bonds5

About tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate

tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate (PubChem CID 80999522) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
PubChem CID80999522
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
SMILESCc1cc(C)n(CCC(=O)N[C@H](C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H25N3O3/c1-10-9-11(2)18(17-10)8-7-13(19)16-12(3)14(20)21-15(4,5)6/h9,12H,7-8H2,1-6H3,(H,16,19)/t12-/m1/s1
InChIKeyZGJAQTAWEKBKKP-GFCCVEGCSA-N
XLogP1.74
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
CID 43171953
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethoxy)propanamide
CID 79675653
2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid
CID 62697672
3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 64670513
tert-butyl N-[(2R)-1-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate
CID 94494165
[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 30237813
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63184682
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
tert-butyl N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)-1-oxopropan-2-yl]carbamate
CID 98041920
4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001106

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate (CID 80999522) is tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate is Cc1cc(C)n(CCC(=O)N[C@H](C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate?
The InChIKey is ZGJAQTAWEKBKKP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10-9-11(2)18(17-10)8-7-13(19)16-12(3)14(20)21-15(4,5)6/h9,12H,7-8H2,1-6H3,(H,16,19)/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate?
tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate has a molecular weight of 295.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate is sourced from PubChem (CID 80999522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).