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

ethyl 2-[(3-tert-butyl-1-methylpyrazol-4-yl)-hydroxymethyl]butanoate
CID 83093839
methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate
CID 83090437
4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentanoic acid
CID 83094443
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
CID 83088868
3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoic acid
CID 83095088
1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine
CID 113404126
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid
CID 83089783
2-amino-3-hydroxy-3-(1-methylimidazol-4-yl)propanoic acid
CID 130598586
4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol
CID 83094621
butyl 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4-hydroxybutanoate
CID 83092247
(3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol
CID 106651526

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).