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

C15H25N3O3 — CID 119173238

IUPAC4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
SMILESCc1nn(C)c(C)c1CC(C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C15H25N3O3/c1-10(9-13-11(2)16-18(5)12(13)3)15(21)17(4)8-6-7-14(19)20/h10H,6-9H2,1-5H3,(H,19,20)
InChIKeyNOCKWQXAJMINQV-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.54
Rot. Bonds7

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

4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid (PubChem CID 119173238) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
PubChem CID119173238
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
SMILESCc1nn(C)c(C)c1CC(C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C15H25N3O3/c1-10(9-13-11(2)16-18(5)12(13)3)15(21)17(4)8-6-7-14(19)20/h10H,6-9H2,1-5H3,(H,19,20)
InChIKeyNOCKWQXAJMINQV-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
CID 119209411
4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 43151815
4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 119204397
4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
CID 97323909
4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid
CID 119347085
3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 60831751
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 79236312
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894
3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 75429225

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid (CID 119173238) is 4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid is Cc1nn(C)c(C)c1CC(C)C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
The InChIKey is NOCKWQXAJMINQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(9-13-11(2)16-18(5)12(13)3)15(21)17(4)8-6-7-14(19)20/h10H,6-9H2,1-5H3,(H,19,20).
What are the key properties of 4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid has a molecular weight of 295.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 119173238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).