2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid

C11H19N3O3 — CID 83088962

IUPAC2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid
SMILESCn1cc(C(O)C(N)C(=O)O)c(C(C)(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-11(2,3)9-6(5-14(4)13-9)8(15)7(12)10(16)17/h5,7-8,15H,12H2,1-4H3,(H,16,17)
InChIKeyWGOLCVJYNUKTGF-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.16
Rot. Bonds3

About 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid

2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid (PubChem CID 83088962) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid
PubChem CID83088962
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid
SMILESCn1cc(C(O)C(N)C(=O)O)c(C(C)(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-11(2,3)9-6(5-14(4)13-9)8(15)7(12)10(16)17/h5,7-8,15H,12H2,1-4H3,(H,16,17)
InChIKeyWGOLCVJYNUKTGF-UHFFFAOYSA-N
XLogP0.16
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 55250681
CID 79583861
CID 79583861
CID 79584138
CID 79584138
CID 79584325
CID 79584325
CID 79584326
CID 79584326
CID 83094312
CID 83094312
CID 83094403
CID 83094403
CID 83094861
CID 83094861
CID 83094959
CID 83094959
CID 83095140
CID 83095140
CID 83095141
CID 83095141
CID 83095235
CID 83095235

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid?
The IUPAC name of 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid (CID 83088962) is 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid is Cn1cc(C(O)C(N)C(=O)O)c(C(C)(C)C)n1.
What is the InChIKey of 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid?
The InChIKey is WGOLCVJYNUKTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,3)9-6(5-14(4)13-9)8(15)7(12)10(16)17/h5,7-8,15H,12H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid?
2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid has a molecular weight of 241.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 83088962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).