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

C16H27N3O3 — CID 75429225

IUPAC3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)C(C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C16H27N3O3/c1-7-16(5,9-14(20)21)17-15(22)10(2)8-13-11(3)18-19(6)12(13)4/h10H,7-9H2,1-6H3,(H,17,22)(H,20,21)
InChIKeyBOIMZQNIKGLEAV-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.98
Rot. Bonds7

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

3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid (PubChem CID 75429225) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
PubChem CID75429225
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)C(C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C16H27N3O3/c1-7-16(5,9-14(20)21)17-15(22)10(2)8-13-11(3)18-19(6)12(13)4/h10H,7-9H2,1-6H3,(H,17,22)(H,20,21)
InChIKeyBOIMZQNIKGLEAV-UHFFFAOYSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 119204397
2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 119192281
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
4-[[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]benzoic acid
CID 119165575
2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95778785
2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231075
N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119529693
2-methyl-N-(3-piperazin-1-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119394606
2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
CID 119209411
N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 78990459

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid (CID 75429225) is 3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid is CCC(C)(CC(=O)O)NC(=O)C(C)Cc1c(C)nn(C)c1C.
What is the InChIKey of 3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
The InChIKey is BOIMZQNIKGLEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-7-16(5,9-14(20)21)17-15(22)10(2)8-13-11(3)18-19(6)12(13)4/h10H,7-9H2,1-6H3,(H,17,22)(H,20,21).
What are the key properties of 3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid has a molecular weight of 309.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid is sourced from PubChem (CID 75429225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).