3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid

C11H19N3O2 — CID 82539337

IUPAC3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid
SMILESCc1nn(C)c(C)c1NC(C(=O)O)C(C)C
InChIInChI=1S/C11H19N3O2/c1-6(2)9(11(15)16)12-10-7(3)13-14(5)8(10)4/h6,9,12H,1-5H3,(H,15,16)
InChIKeyIPBYWABSXGXXEE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.56
Rot. Bonds4

About 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid

3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid (PubChem CID 82539337) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid
PubChem CID82539337
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid
SMILESCc1nn(C)c(C)c1NC(C(=O)O)C(C)C
InChIInChI=1S/C11H19N3O2/c1-6(2)9(11(15)16)12-10-7(3)13-14(5)8(10)4/h6,9,12H,1-5H3,(H,15,16)
InChIKeyIPBYWABSXGXXEE-UHFFFAOYSA-N
XLogP1.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
CID 83193828
3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine
CID 130573982
(2S)-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpropanoic acid
CID 129451870
3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 43353725
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine
CID 43204532
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-3-methylbutanoic acid
CID 66011790
1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115927517
2-amino-3-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]sulfanylpropanoic acid
CID 43385512
2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid
CID 65055851

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid (CID 82539337) is 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid is Cc1nn(C)c(C)c1NC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid?
The InChIKey is IPBYWABSXGXXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-6(2)9(11(15)16)12-10-7(3)13-14(5)8(10)4/h6,9,12H,1-5H3,(H,15,16).
What are the key properties of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid?
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid is sourced from PubChem (CID 82539337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).