2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid

C9H15N3O2 — CID 83831354

IUPAC2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid
SMILESCC(C)(C)c1cc(C(N)C(=O)O)[nH]n1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)6-4-5(11-12-6)7(10)8(13)14/h4,7H,10H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLKIXMQHRKHIVKK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.79
Rot. Bonds2

About 2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid

2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid (PubChem CID 83831354) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid
PubChem CID83831354
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid
SMILESCC(C)(C)c1cc(C(N)C(=O)O)[nH]n1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)6-4-5(11-12-6)7(10)8(13)14/h4,7H,10H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLKIXMQHRKHIVKK-UHFFFAOYSA-N
XLogP0.79
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
CID 83828671
3-tert-butyl-5-[(2R)-3-methylbutan-2-yl]-1H-pyrazole
CID 166904793
3-(3-tert-butyl-1H-pyrazol-5-yl)-2-methylpropanoic acid
CID 112710278
3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]propanoic acid
CID 120586281
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine
CID 83987278
(1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
CID 96742679
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-chloroacetamide
CID 166430893
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847144
3-tert-butyl-5-methyl-1H-pyridazin-6-one
CID 134986952
5-propan-2-yl-3-(trichloromethyl)-1H-pyrazole
CID 10900368
3-tert-butyl-5-(hydroxyamino)-1H-pyridazin-6-one
CID 55254935
2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine
CID 83848435

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid (CID 83831354) is 2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid is CC(C)(C)c1cc(C(N)C(=O)O)[nH]n1.
What is the InChIKey of 2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid?
The InChIKey is LKIXMQHRKHIVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)6-4-5(11-12-6)7(10)8(13)14/h4,7H,10H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid?
2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid has a molecular weight of 197.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid is sourced from PubChem (CID 83831354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).