2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid

C14H23N3O3 — CID 79266236

IUPAC2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1CC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-9-11(10(2)16(6)15-9)7-12(18)17(8-13(19)20)14(3,4)5/h7-8H2,1-6H3,(H,19,20)
InChIKeyRNQVBAYJLLVCHR-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.29
Rot. Bonds4

About 2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid

2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid (PubChem CID 79266236) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
PubChem CID79266236
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1CC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-9-11(10(2)16(6)15-9)7-12(18)17(8-13(19)20)14(3,4)5/h7-8H2,1-6H3,(H,19,20)
InChIKeyRNQVBAYJLLVCHR-UHFFFAOYSA-N
XLogP1.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 103802828
2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 79263566
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30212742
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 119654378
3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 60831751
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 61261702
N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134006182
2-[tert-butyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 79262253
1-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105107419
2-[tert-butyl-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]amino]acetic acid
CID 79268846
2-[tert-butyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetic acid
CID 79268547
N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43573797

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid (CID 79266236) is 2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid is Cc1nn(C)c(C)c1CC(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
The InChIKey is RNQVBAYJLLVCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9-11(10(2)16(6)15-9)7-12(18)17(8-13(19)20)14(3,4)5/h7-8H2,1-6H3,(H,19,20).
What are the key properties of 2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 79266236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).