tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate

C14H23N3O3 — CID 81003264

IUPACtert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
SMILESCC(C)[C@@H](NC(=O)Cc1ccn[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-9(2)12(13(19)20-14(3,4)5)16-11(18)8-10-6-7-15-17-10/h6-7,9,12H,8H2,1-5H3,(H,15,17)(H,16,18)/t12-/m1/s1
InChIKeySJBBXWGWEWFEJK-GFCCVEGCSA-N
MW281.36 g/mol
LogP1.43
Rot. Bonds5

About tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate

tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate (PubChem CID 81003264) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
PubChem CID81003264
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nametert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
SMILESCC(C)[C@@H](NC(=O)Cc1ccn[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-9(2)12(13(19)20-14(3,4)5)16-11(18)8-10-6-7-15-17-10/h6-7,9,12H,8H2,1-5H3,(H,15,17)(H,16,18)/t12-/m1/s1
InChIKeySJBBXWGWEWFEJK-GFCCVEGCSA-N
XLogP1.43
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate with MolForge

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Related Compounds

2-(1H-pyrazol-5-yl)acetohydrazide
CID 4196186
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 94032780
tert-butyl (2R)-2-[(2-acetamidoacetyl)amino]-3-methylbutanoate
CID 81003713
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946
tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate
CID 103775011
tert-butyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 15600481
chloromethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoate
CID 165439876
tert-butyl (2S)-2-amino-5-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoate
CID 10066982
tert-butyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate
CID 115539558
tert-butyl (2R)-3-methyl-2-(3-methylsulfanylpropanoylamino)butanoate
CID 81003425
tert-butyl (2R)-3-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate
CID 66843039

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate?
The IUPAC name of tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate (CID 81003264) is tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate.
What is the SMILES notation for tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate?
The canonical SMILES for tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate is CC(C)[C@@H](NC(=O)Cc1ccn[nH]1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate?
The InChIKey is SJBBXWGWEWFEJK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)12(13(19)20-14(3,4)5)16-11(18)8-10-6-7-15-17-10/h6-7,9,12H,8H2,1-5H3,(H,15,17)(H,16,18)/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate?
tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate has a molecular weight of 281.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate is sourced from PubChem (CID 81003264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).